| Properties | Image |
|---|
| MNX_ID | MNXM1182524 |
 |
| reference | envipathM:...871995a29ff8 |
| formula | C29H51O13 |
| global charge | -1 |
| mol weight | 607.714 |
| InChIKey | RQMRNCGXDIKZDG-KQAPGULASA-M |
| InChI | InChI=1S/C29H52O13/c1-11-18(30)28(8,38)25(36)29(9,39)21(31)14(2)12-26(6,37)22(32)15(3)20(16(4)24(34)35)42-19-13-27(7,40-10)23(33)17(5)41-19/h14-20,23,25,30,33,36-39H,11-13H2,1-10H3,(H,34,35)/p-1/t14-,15+,16-,17+,18-,19+,20+,23+,25+,26-,27-,28-,29-/m1/s1 |
| SMILES | CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@](C)(O)C(=O)[C@H](C)C[C@@](C)(O)C(=O)[C@@H](C)[C@H](O[C@H]1C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C29H52O13/c1-11-18(30)28(8,38)25(36)29(9,39)21(31)14(2)12-26(6,37)22(32)15(3)20(16(4)24(34)35)42-19-13-27(7,40-10)23(33)17(5)41-19/h14-20,23,25,30,33,36-39H,11-13H2,1-10H3,(H,34,35)/t14-,15+,16-,17+,18-,19+,20+,23+,25+,26-,27-,28-,29-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:11][C@H:18]([C@:28]([CH3:8])([C@@H:25]([C@@:29]([CH3:9])([C:21]([C@H:14]([CH3:2])[CH2:12][C@:26]([CH3:6])([C:22]([C@@H:15]([CH3:3])[C@@H:20]([C@@H:16]([CH3:4])[C:24](=[O:34])[OH:35])[O:42][C@H:19]1[CH2:13][C@@:27]([CH3:7])([O:40][CH3:10])[C@@H:23]([OH:33])[C@H:17]([CH3:5])[O:41]1)=[O:32])[OH:37])=[O:31])[OH:39])[OH:36])[OH:38])[OH:30] |
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