| Properties | Image |
|---|
| MNX_ID | MNXM1173235 |
 |
| reference | envipathM:...6353fdb4e8d5 |
| formula | C37H67NO16 |
| global charge | 0 |
| mol weight | 781.934 |
| InChIKey | LFJRPCANVAVFJB-NUTHSQAWSA-N |
| InChI | InChI=1S/C37H67NO16/c1-18-13-33(6,45)29(52-25-16-37(48,38(10)11)14-19(2)50-25)21(4)30(53-24-15-34(7,49-12)28(43)22(5)51-24)36(9,47)32(44)54-31(23(40)17-39)35(8,46)27(42)20(3)26(18)41/h18-25,27-31,39-40,42-43,45-48H,13-17H2,1-12H3/t18-,19-,20+,21-,22+,23?,24+,25+,27-,28+,29-,30+,31-,33-,34-,35+,36+,37-/m1/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@H]3C[C@@](O)(N(C)C)C[C@@H](C)O3)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](C(O)CO)OC(=O)[C@@]2(C)O)O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H67NO16/c1-18-13-33(6,45)29(52-25-16-37(48,38(10)11)14-19(2)50-25)21(4)30(53-24-15-34(7,49-12)28(43)22(5)51-24)36(9,47)32(44)54-31(23(40)17-39)35(8,46)27(42)20(3)26(18)41/h18-25,27-31,39-40,42-43,45-48H,13-17H2,1-12H3/t18-,19-,20+,21-,22+,23?,24+,25+,27-,28+,29-,30+,31-,33-,34-,35+,36+,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:13][C@@:33]([CH3:6])([OH:45])[C@H:29]([O:52][C@H:25]2[CH2:16][C@:37]([N:38]([CH3:10])[CH3:11])([OH:48])[CH2:14][C@@H:19]([CH3:2])[O:50]2)[C@@H:21]([CH3:4])[C@H:30]([O:53][C@H:24]2[CH2:15][C@@:34]([CH3:7])([O:49][CH3:12])[C@@H:28]([OH:43])[C@H:22]([CH3:5])[O:51]2)[C@:36]([CH3:9])([OH:47])[C:32](=[O:44])[O:54][C@H:31]([CH:23]([CH2:17][OH:39])[OH:40])[C@@:35]([CH3:8])([OH:46])[C@H:27]([OH:42])[C@@H:20]([CH3:3])[C:26]1=[O:41] |
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