| Properties | Image |
|---|
| MNX_ID | MNXM148679 |
 |
| reference | metacycM:CPD-16460 |
| formula | C24H42O21 |
| global charge | 0 |
| mol weight | 666.579 |
| InChIKey | UXTMRPZZCGCJKS-DLQNOBSRSA-N |
| InChI | InChI=1S/C24H42O21/c25-1-8-13(31)18(36)22(5-28,42-8)39-4-11-12(30)16(34)17(35)21(41-11)45-24(20(38)15(33)10(3-27)44-24)7-40-23(6-29)19(37)14(32)9(2-26)43-23/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1 |
| SMILES | OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@H](O[C@]3(CO[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C24H42O21/c25-1-8-13(31)18(36)22(5-28,42-8)39-4-11-12(30)16(34)17(35)21(41-11)45-24(20(38)15(33)10(3-27)44-24)7-40-23(6-29)19(37)14(32)9(2-26)43-23/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]([C@@H:8]1[C@@H:13]([OH:31])[C@H:18]([OH:36])[C@:22]([CH2:5][OH:28])([O:39][CH2:4][C@@H:11]2[C@@H:12]([OH:30])[C@H:16]([OH:34])[C@@H:17]([OH:35])[C@@H:21]([O:45][C@@:24]3([CH2:7][O:40][C@@:23]4([CH2:6][OH:29])[C@@H:19]([OH:37])[C@H:14]([OH:32])[C@@H:9]([CH2:2][OH:26])[O:43]4)[C@@H:20]([OH:38])[C@H:15]([OH:33])[C@@H:10]([CH2:3][OH:27])[O:44]3)[O:41]2)[O:42]1)[OH:25] |
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