| Properties | Image |
|---|
| MNX_ID | MNXM130570 |
 |
| reference | metacycM:CPD-16684 |
| formula | C32H46O16 |
| global charge | 0 |
| mol weight | 686.704 |
| InChIKey | SBVBJPHMDABKJV-HEGAIRQKSA-N |
| InChI | InChI=1S/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m1/s1 |
| SMILES | COC1=CC(C[C@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC2=CC(OC)=C(O)C=C2)=CC=C1O |
MNX internals
| InChI (mnx) | InChI=1/C32H46O16/c1-43-21-9-15(3-5-19(21)35)7-17(13-45-31-29(41)27(39)25(37)23(11-33)47-31)18(8-16-4-6-20(36)22(10-16)44-2)14-46-32-30(42)28(40)26(38)24(12-34)48-32/h3-6,9-10,17-18,23-42H,7-8,11-14H2,1-2H3/t17-,18-,23+,24+,25+,26+,27-,28-,29+,30+,31+,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][O:43][C:21]1=[C:19]([OH:35])[CH:5]=[CH:3][C:15]([CH2:7][C@H:17]([CH2:13][O:45][C@@H:31]2[C@@H:29]([OH:41])[C@H:27]([OH:39])[C@@H:25]([OH:37])[C@H:23]([CH2:11][OH:33])[O:47]2)[C@H:18]([CH2:8][C:16]2=[CH:10][C:22]([O:44][CH3:2])=[C:20]([OH:36])[CH:6]=[CH:4]2)[CH2:14][O:46][C@@H:32]2[C@@H:30]([OH:42])[C@H:28]([OH:40])[C@@H:26]([OH:38])[C@H:24]([CH2:12][OH:34])[O:48]2)=[CH:9]1 |
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