| Properties | Image |
|---|
| MNX_ID | MNXM6987 |
 |
| reference | biggM:oagd3_hs |
| formula | C56H95N3O30 |
| global charge | 0 |
| mol weight | 1290.367 |
| InChIKey | ODBNHBMRTCHJEH-RYXDBFSOSA-N |
| InChI | InChI=1S/C56H95N3O30/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(67)31(57-27(2)63)25-82-51-45(75)44(74)47(38(24-62)84-51)85-52-46(76)50(42(72)36(22-60)83-52)89-56(54(79)80)21-34(69)40(59-29(4)65)49(88-56)43(73)37(23-61)86-55(53(77)78)20-33(68)39(58-28(3)64)48(87-55)41(71)35(70)26-81-30(5)66/h18-19,31-52,60-62,67-76H,6-17,20-26H2,1-5H3,(H,57,63)(H,58,64)(H,59,65)(H,77,78)(H,79,80)/b19-18+/t31-,32+,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50-,51+,52-,55+,56-/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](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O4)O3)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C56H95N3O30/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(67)31(57-27(2)63)25-82-51-45(75)44(74)47(38(24-62)84-51)85-52-46(76)50(42(72)36(22-60)83-52)89-56(54(79)80)21-34(69)40(59-29(4)65)49(88-56)43(73)37(23-61)86-55(53(77)78)20-33(68)39(58-28(3)64)48(87-55)41(71)35(70)26-81-30(5)66/h18-19,31-52,60-62,67-76H,6-17,20-26H2,1-5H3,(H,57,63)(H,58,64)(H,59,65)(H,77,78)(H,79,80)/b19-18+/t31-,32+,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50-,51+,52-,55+,56-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:32]([C@H:31]([CH2:25][O:82][C@H:51]1[C@H:45]([OH:75])[C@@H:44]([OH:74])[C@H:47]([O:85][C@H:52]2[C@H:46]([OH:76])[C@@H:50]([O:89][C@:56]3([C:54](=[O:79])[OH:80])[CH2:21][C@H:34]([OH:69])[C@@H:40]([N:59]=[C:29]([CH3:4])[OH:65])[C@H:49]([C@@H:43]([C@@H:37]([CH2:23][OH:61])[O:86][C@:55]4([C:53](=[O:77])[OH:78])[CH2:20][C@H:33]([OH:68])[C@@H:39]([N:58]=[C:28]([CH3:3])[OH:64])[C@H:48]([C@@H:41]([C@@H:35]([CH2:26][O:81][C:30]([CH3:5])=[O:66])[OH:70])[OH:71])[O:87]4)[OH:73])[O:88]3)[C@@H:42]([OH:72])[C@@H:36]([CH2:22][OH:60])[O:83]2)[C@@H:38]([CH2:24][OH:62])[O:84]1)[N:57]=[C:27]([CH3:2])[OH:63])[OH:67] |
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