| Properties | Image |
|---|
| MNX_ID | MNXM1192848 |
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| reference | envipathM:...ebc28b748fcd |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | ALZXPMOUXHBEMI-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-35(58-32-15-26(45)36(19(2)55-32)59-33-13-24(43)34(49)27(17-42)57-33)25(44)14-31(54-18)56-21-7-9-38(3)20(11-21)5-6-28-40(52)10-8-23(22(37(50)51)12-30(47)48)39(40,4)29(46)16-41(28,38)53/h12,18-21,23,25-29,31-37,42,44-46,49-53H,5-11,13-17H2,1-4H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3(O)CC(O)C3(C)C(C(=CC(=O)[O-])C(O)O)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-35(58-32-15-26(45)36(19(2)55-32)59-33-13-24(43)34(49)27(17-42)57-33)25(44)14-31(54-18)56-21-7-9-38(3)20(11-21)5-6-28-40(52)10-8-23(22(37(50)51)12-30(47)48)39(40,4)29(46)16-41(28,38)53/h12,18-21,23,25-29,31-37,42,44-46,49-53H,5-11,13-17H2,1-4H3,(H,47,48)/b22-12?/t18?,19?,20?,21?,23?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:58][CH:32]2[CH2:15][CH:26]([OH:45])[CH:36]([O:59][CH:33]3[CH2:13][C:24](=[O:43])[CH:34]([OH:49])[CH:27]([CH2:17][OH:42])[O:57]3)[CH:19]([CH3:2])[O:55]2)[CH:25]([OH:44])[CH2:14][CH:31]([O:56][CH:21]2[CH2:7][CH2:9][C:38]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:28]4[C:40]5([OH:52])[CH2:10][CH2:8][CH:23]([C:22](=[CH:12][C:30](=[O:47])[OH:48])[CH:37]([OH:50])[OH:51])[C:39]5([CH3:4])[CH:29]([OH:46])[CH2:16][C:41]43[OH:53])[CH2:11]2)[O:54]1 |
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