| Properties | Image |
|---|
| MNX_ID | MNXM1371354 |
 |
| reference | biggM:o16a2und |
| formula | C123H200N2O57P2 |
| global charge | -2 |
| mol weight | 2680.858 |
| InChIKey | JLHGQTKMJCQGJD-UHFFFAOYSA-L |
| InChI | InChI=1S/C123H202N2O57P2/c1-59(2)29-19-30-60(3)31-20-32-61(4)33-21-34-62(5)35-22-36-63(6)37-23-38-64(7)39-24-40-65(8)41-25-42-66(9)43-26-44-67(10)45-27-46-68(11)47-28-48-69(12)49-50-163-183(155,156)182-184(157,158)181-115-85(125-73(16)131)108(93(143)83(171-115)58-160-117-100(150)95(145)89(139)79(54-129)169-117)177-123-113(167-75(18)133)110(87(137)71(14)165-123)179-120-102(152)97(147)91(141)81(173-120)56-162-121-111(104(154)106(175-121)77(135)52-127)180-114-84(124-72(15)130)107(92(142)82(170-114)57-159-116-99(149)94(144)88(138)78(53-128)168-116)176-122-112(166-74(17)132)109(86(136)70(13)164-122)178-119-101(151)96(146)90(140)80(172-119)55-161-118-103(153)98(148)105(174-118)76(134)51-126/h29,31,33,35,37,39,41,43,45,47,49,70-71,76-123,126-129,134-154H,19-28,30,32,34,36,38,40,42,44,46,48,50-58H2,1-18H3,(H,124,130)(H,125,131)(H,155,156)(H,157,158)/p-2 |
| SMILES | CC(=O)NC1C(OC2C(OCC3OC(OC4C(O)C(C)OC(OC5C(O)C(COC6OC(CO)C(O)C(O)C6O)OC(OP(=O)([O-])OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C5NC(C)=O)C4OC(C)=O)C(O)C(O)C3O)OC(C(O)CO)C2O)OC(COC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(C)C(O)C(OC2OC(COC3OC(C(O)CO)C(O)C3O)C(O)C(O)C2O)C1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C123H202N2O57P2/c1-59(2)29-19-30-60(3)31-20-32-61(4)33-21-34-62(5)35-22-36-63(6)37-23-38-64(7)39-24-40-65(8)41-25-42-66(9)43-26-44-67(10)45-27-46-68(11)47-28-48-69(12)49-50-163-183(155,156)182-184(157,158)181-115-85(125-73(16)131)108(93(143)83(171-115)58-160-117-100(150)95(145)89(139)79(54-129)169-117)177-123-113(167-75(18)133)110(87(137)71(14)165-123)179-120-102(152)97(147)91(141)81(173-120)56-162-121-111(104(154)106(175-121)77(135)52-127)180-114-84(124-72(15)130)107(92(142)82(170-114)57-159-116-99(149)94(144)88(138)78(53-128)168-116)176-122-112(166-74(17)132)109(86(136)70(13)164-122)178-119-101(151)96(146)90(140)80(172-119)55-161-118-103(153)98(148)105(174-118)76(134)51-126/h29,31,33,35,37,39,41,43,45,47,49,70-71,76-123,126-129,134-154H,19-28,30,32,34,36,38,40,42,44,46,48,50-58H2,1-18H3,(H,124,130)(H,125,131)(H,155,156)(H,157,158)/b60-31?,61-33?,62-35?,63-37?,64-39?,65-41?,66-43?,67-45?,68-47?,69-49?/t70?,71?,76?,77?,78?,79?,80?,81?,82?,83?,84?,85?,86?,87?,88?,89?,90?,91?,92?,93?,94?,95?,96?,97?,98?,99?,100?,101?,102?,103?,104?,105?,106?,107?,108?,109?,110?,111?,112?,113?,114?,115?,116?,117?,118?,119?,120?,121?,122?,123? |
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| SMILES (mnx) | [CH3:1][C:59]([CH3:2])=[CH:29][CH2:19][CH2:30][C:60]([CH3:3])=[CH:31][CH2:20][CH2:32][C:61]([CH3:4])=[CH:33][CH2:21][CH2:34][C:62]([CH3:5])=[CH:35][CH2:22][CH2:36][C:63]([CH3:6])=[CH:37][CH2:23][CH2:38][C:64]([CH3:7])=[CH:39][CH2:24][CH2:40][C:65]([CH3:8])=[CH:41][CH2:25][CH2:42][C:66]([CH3:9])=[CH:43][CH2:26][CH2:44][C:67]([CH3:10])=[CH:45][CH2:27][CH2:46][C:68]([CH3:11])=[CH:47][CH2:28][CH2:48][C:69]([CH3:12])=[CH:49][CH2:50][O:163][P:183]([OH:155])(=[O:156])[O:182][P:184]([OH:157])(=[O:158])[O:181][CH:115]1[CH:85]([N:125]=[C:73]([CH3:16])[OH:131])[CH:108]([O:177][CH:123]2[CH:113]([O:167][C:75]([CH3:18])=[O:133])[CH:110]([O:179][CH:120]3[CH:102]([OH:152])[CH:97]([OH:147])[CH:91]([OH:141])[CH:81]([CH2:56][O:162][CH:121]4[CH:111]([O:180][CH:114]5[CH:84]([N:124]=[C:72]([CH3:15])[OH:130])[CH:107]([O:176][CH:122]6[CH:112]([O:166][C:74]([CH3:17])=[O:132])[CH:109]([O:178][CH:119]7[CH:101]([OH:151])[CH:96]([OH:146])[CH:90]([OH:140])[CH:80]([CH2:55][O:161][CH:118]8[CH:103]([OH:153])[CH:98]([OH:148])[CH:105]([CH:76]([CH2:51][OH:126])[OH:134])[O:174]8)[O:172]7)[CH:86]([OH:136])[CH:70]([CH3:13])[O:164]6)[CH:92]([OH:142])[CH:82]([CH2:57][O:159][CH:116]6[CH:99]([OH:149])[CH:94]([OH:144])[CH:88]([OH:138])[CH:78]([CH2:53][OH:128])[O:168]6)[O:170]5)[CH:104]([OH:154])[CH:106]([CH:77]([CH2:52][OH:127])[OH:135])[O:175]4)[O:173]3)[CH:87]([OH:137])[CH:71]([CH3:14])[O:165]2)[CH:93]([OH:143])[CH:83]([CH2:58][O:160][CH:117]2[CH:100]([OH:150])[CH:95]([OH:145])[CH:89]([OH:139])[CH:79]([CH2:54][OH:129])[O:169]2)[O:171]1 |
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