| Properties | Image |
|---|
| MNX_ID | MNXM1209411 |
 |
| reference | envipathM:...be68853f30b2 |
| formula | C35H60O17 |
| global charge | 0 |
| mol weight | 752.848 |
| InChIKey | KNZFAOWMNASTDA-VVFUQLLZSA-N |
| InChI | InChI=1S/C35H60O17/c1-11-21-33(7,44)29(42)34(8,45)24(39)16(2)13-31(5,43)30(52-28-23(38)20(37)12-19(15-36)49-28)35(9,46)26(17(3)27(41)50-21)51-22-14-32(6,47-10)25(40)18(4)48-22/h16-19,21-23,25-26,28-30,36,38,40,42-46H,11-15H2,1-10H3/t16-,17-,18+,19+,21-,22+,23-,25+,26-,28+,29+,30+,31-,32-,33-,34-,35-/m1/s1 |
| SMILES | CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@](C)(O)[C@@H](O[C@@H]2O[C@H](CO)CC(=O)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@@](C)(O)[C@@H](O)[C@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C35H60O17/c1-11-21-33(7,44)29(42)34(8,45)24(39)16(2)13-31(5,43)30(52-28-23(38)20(37)12-19(15-36)49-28)35(9,46)26(17(3)27(41)50-21)51-22-14-32(6,47-10)25(40)18(4)48-22/h16-19,21-23,25-26,28-30,36,38,40,42-46H,11-15H2,1-10H3/t16-,17-,18+,19+,21-,22+,23-,25+,26-,28+,29+,30+,31-,32-,33-,34-,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:11][C@@H:21]1[C@@:33]([CH3:7])([OH:44])[C@H:29]([OH:42])[C@:34]([CH3:8])([OH:45])[C:24](=[O:39])[C@H:16]([CH3:2])[CH2:13][C@@:31]([CH3:5])([OH:43])[C@H:30]([O:52][C@H:28]2[C@H:23]([OH:38])[C:20](=[O:37])[CH2:12][C@@H:19]([CH2:15][OH:36])[O:49]2)[C@:35]([CH3:9])([OH:46])[C@H:26]([O:51][C@H:22]2[CH2:14][C@@:32]([CH3:6])([O:47][CH3:10])[C@@H:25]([OH:40])[C@H:18]([CH3:4])[O:48]2)[C@@H:17]([CH3:3])[C:27](=[O:41])[O:50]1 |
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