| Properties | Image |
|---|
| MNX_ID | MNXM1188638 |
 |
| reference | envipathM:...6318ff6d9379 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | MZQRBHLPLAQJES-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-33(47)24(42)14-31(52-18)57-35-20(3)54-32(16-26(35)44)58-34-19(2)53-30(15-25(34)43)55-22-7-8-37(4)21(12-22)6-9-40(50)27(37)17-28(45)38(5)39(49,10-11-41(38,40)51)23-13-29(46)56-36(23)48/h13,18-22,24-27,30-36,42-44,47-51H,6-12,14-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CC(=O)C5(C)C(O)(C7=CC(=O)OC7O)CCC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-33(47)24(42)14-31(52-18)57-35-20(3)54-32(16-26(35)44)58-34-19(2)53-30(15-25(34)43)55-22-7-8-37(4)21(12-22)6-9-40(50)27(37)17-28(45)38(5)39(49,10-11-41(38,40)51)23-13-29(46)56-36(23)48/h13,18-22,24-27,30-36,42-44,47-51H,6-12,14-17H2,1-5H3/t18?,19?,20?,21?,22?,24?,25?,26?,27?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:33]([OH:47])[CH:24]([OH:42])[CH2:14][CH:31]([O:57][CH:35]2[CH:20]([CH3:3])[O:54][CH:32]([O:58][CH:34]3[CH:19]([CH3:2])[O:53][CH:30]([O:55][CH:22]4[CH2:7][CH2:8][C:37]5([CH3:4])[CH:21]([CH2:6][CH2:9][C:40]6([OH:50])[CH:27]5[CH2:17][C:28](=[O:45])[C:38]5([CH3:5])[C:39]([C:23]7=[CH:13][C:29](=[O:46])[O:56][CH:36]7[OH:48])([OH:49])[CH2:10][CH2:11][C:41]56[OH:51])[CH2:12]4)[CH2:15][CH:25]3[OH:43])[CH2:16][CH:26]2[OH:44])[O:52]1 |
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