| Properties | Image |
|---|
| MNX_ID | MNXM1180579 |
 |
| reference | envipathM:...80221b07f5bb |
| formula | C29H51O14 |
| global charge | -1 |
| mol weight | 623.713 |
| InChIKey | BBIGHJKBCNNTEI-FHIWXGHISA-M |
| InChI | InChI=1S/C29H52O14/c1-13(23(34)29(8,40)24(35)16(4)31)20(32)18(12-30)10-27(6,39)22(33)14(2)21(15(3)26(37)38)43-19-11-28(7,41-9)25(36)17(5)42-19/h13-19,21,23-25,30-31,34-36,39-40H,10-12H2,1-9H3,(H,37,38)/p-1/t13-,14-,15+,16?,17-,18-,19-,21-,23+,24+,25-,27+,28+,29-/m0/s1 |
| SMILES | CO[C@]1(C)C[C@H](O[C@@H]([C@H](C)C(=O)[C@](C)(O)C[C@@H](CO)C(=O)[C@H](C)[C@@H](O)[C@](C)(O)[C@H](O)C(C)O)[C@@H](C)C(=O)[O-])O[C@@H](C)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H52O14/c1-13(23(34)29(8,40)24(35)16(4)31)20(32)18(12-30)10-27(6,39)22(33)14(2)21(15(3)26(37)38)43-19-11-28(7,41-9)25(36)17(5)42-19/h13-19,21,23-25,30-31,34-36,39-40H,10-12H2,1-9H3,(H,37,38)/t13-,14-,15+,16?,17-,18-,19-,21-,23+,24+,25-,27+,28+,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:13]([C:20]([C@@H:18]([CH2:10][C@:27]([CH3:6])([C:22]([C@@H:14]([CH3:2])[C@@H:21]([C@@H:15]([CH3:3])[C:26](=[O:37])[OH:38])[O:43][C@H:19]1[CH2:11][C@@:28]([CH3:7])([O:41][CH3:9])[C@@H:25]([OH:36])[C@H:17]([CH3:5])[O:42]1)=[O:33])[OH:39])[CH2:12][OH:30])=[O:32])[C@H:23]([C@@:29]([CH3:8])([C@@H:24]([CH:16]([CH3:4])[OH:31])[OH:35])[OH:40])[OH:34] |
|