| Properties | Image |
|---|
| MNX_ID | MNXM522738 |
 |
| reference | slm:000486216 |
| formula | C70H118N4O39 |
| global charge | -2 |
| mol weight | 1639.703 |
| InChIKey | GCMPBMGPDDQKKT-XYFMMHMCSA-L |
| InChI | InChI=1S/C70H120N4O39/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-35(83)34(74-44(88)20-7-2)29-102-64-54(95)52(93)58(41(27-78)105-64)109-65-55(96)53(94)57(42(28-79)106-65)108-63-47(73-33(5)82)59(51(92)43(107-63)30-103-69(67(98)99)22-36(84)45(71-31(3)80)60(111-69)48(89)38(86)24-75)110-66-56(97)62(50(91)40(26-77)104-66)113-70(68(100)101)23-37(85)46(72-32(4)81)61(112-70)49(90)39(87)25-76/h19,21,34-43,45-66,75-79,83-87,89-97H,6-18,20,22-30H2,1-5H3,(H,71,80)(H,72,81)(H,73,82)(H,74,88)(H,98,99)(H,100,101)/p-2/b21-19+/t34-,35+,36-,37-,38+,39+,40+,41+,42+,43+,45+,46+,47+,48+,49+,50-,51-,52+,53+,54+,55+,56+,57-,58+,59+,60+,61+,62-,63-,64+,65-,66-,69+,70-/m0/s1 |
| SMILES | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO[C@]4(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C70H120N4O39/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-35(83)34(74-44(88)20-7-2)29-102-64-54(95)52(93)58(41(27-78)105-64)109-65-55(96)53(94)57(42(28-79)106-65)108-63-47(73-33(5)82)59(51(92)43(107-63)30-103-69(67(98)99)22-36(84)45(71-31(3)80)60(111-69)48(89)38(86)24-75)110-66-56(97)62(50(91)40(26-77)104-66)113-70(68(100)101)23-37(85)46(72-32(4)81)61(112-70)49(90)39(87)25-76/h19,21,34-43,45-66,75-79,83-87,89-97H,6-18,20,22-30H2,1-5H3,(H,71,80)(H,72,81)(H,73,82)(H,74,88)(H,98,99)(H,100,101)/b21-19+/t34-,35+,36-,37-,38+,39+,40+,41+,42+,43+,45+,46+,47+,48+,49+,50-,51-,52+,53+,54+,55+,56+,57-,58+,59+,60+,61+,62-,63-,64+,65-,66-,69+,70-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]/[CH:19]=[CH:21]/[C@H:35]([C@H:34]([CH2:29][O:102][C@H:64]1[C@H:54]([OH:95])[C@@H:52]([OH:93])[C@H:58]([O:109][C@H:65]2[C@H:55]([OH:96])[C@@H:53]([OH:94])[C@@H:57]([O:108][C@H:63]3[C@H:47]([N:73]=[C:33]([CH3:5])[OH:82])[C@@H:59]([O:110][C@H:66]4[C@H:56]([OH:97])[C@@H:62]([O:113][C@:70]5([C:68](=[O:100])[OH:101])[CH2:23][C@H:37]([OH:85])[C@@H:46]([N:72]=[C:32]([CH3:4])[OH:81])[C@H:61]([C@@H:49]([C@@H:39]([CH2:25][OH:76])[OH:87])[OH:90])[O:112]5)[C@@H:50]([OH:91])[C@@H:40]([CH2:26][OH:77])[O:104]4)[C@@H:51]([OH:92])[C@@H:43]([CH2:30][O:103][C@:69]4([C:67](=[O:98])[OH:99])[CH2:22][C@H:36]([OH:84])[C@@H:45]([N:71]=[C:31]([CH3:3])[OH:80])[C@H:60]([C@@H:48]([C@@H:38]([CH2:24][OH:75])[OH:86])[OH:89])[O:111]4)[O:107]3)[C@@H:42]([CH2:28][OH:79])[O:106]2)[C@@H:41]([CH2:27][OH:78])[O:105]1)[N:74]=[C:44]([CH2:20][CH2:7][CH3:2])[OH:88])[OH:83] |
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