| Properties | Image |
|---|
| MNX_ID | MNXM42957 |
 |
| reference | keggC:C17863 |
| formula | C37H62O20 |
| global charge | 0 |
| mol weight | 826.883 |
| InChIKey | KMAVPTHWZHSHBW-XUEHSJMKSA-N |
| InChI | InChI=1S/C37H62O20/c1-16-7-18(54-30-26(44)24(42)22(40)20(55-30)10-50-32-28(46)36(48,12-38)14-52-32)9-35(4)6-5-17(8-19(16)35)34(2,3)57-31-27(45)25(43)23(41)21(56-31)11-51-33-29(47)37(49,13-39)15-53-33/h17-33,38-49H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23-,24+,25+,26-,27-,28+,29+,30-,31+,32-,33-,35+,36-,37-/m1/s1 |
| SMILES | C=C1C[C@H](O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@H](CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C37H62O20/c1-16-7-18(54-30-26(44)24(42)22(40)20(55-30)10-50-32-28(46)36(48,12-38)14-52-32)9-35(4)6-5-17(8-19(16)35)34(2,3)57-31-27(45)25(43)23(41)21(56-31)11-51-33-29(47)37(49,13-39)15-53-33/h17-33,38-49H,1,5-15H2,2-4H3/t17-,18+,19+,20-,21-,22-,23-,24+,25+,26-,27-,28+,29+,30-,31+,32-,33-,35+,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:16]1[CH2:7][C@H:18]([O:54][C@H:30]2[C@H:26]([OH:44])[C@@H:24]([OH:42])[C@H:22]([OH:40])[C@@H:20]([CH2:10][O:50][C@H:32]3[C@H:28]([OH:46])[C@:36]([CH2:12][OH:38])([OH:48])[CH2:14][O:52]3)[O:55]2)[CH2:9][C@:35]2([CH3:4])[CH2:6][CH2:5][C@@H:17]([C:34]([CH3:2])([CH3:3])[O:57][C@H:31]3[C@H:27]([OH:45])[C@@H:25]([OH:43])[C@H:23]([OH:41])[C@@H:21]([CH2:11][O:51][C@H:33]4[C@H:29]([OH:47])[C@:37]([CH2:13][OH:39])([OH:49])[CH2:15][O:53]4)[O:56]3)[CH2:8][C@@H:19]12 |
|