| Properties | Image |
|---|
| MNX_ID | MNXM1194261 |
 |
| reference | envipathM:...a6e9722d30c1 |
| formula | C41H62O17 |
| global charge | -2 |
| mol weight | 826.93 |
| InChIKey | CQZGQVVGCOMOTK-UHFFFAOYSA-L |
| InChI | InChI=1S/C41H64O17/c1-19-36(50)28(43)15-34(53-19)57-38-21(3)55-35(17-30(38)45)58-37-20(2)54-33(16-29(37)44)56-24-8-10-39(4)23(13-24)6-7-26(27(39)14-32(48)49)41(52)11-9-25(40(41,5)51)22(18-42)12-31(46)47/h12,19-21,23-27,29-30,33-38,42,44-45,50-52H,6-11,13-18H2,1-5H3,(H,46,47)(H,48,49)/p-2 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC(C6(O)CCC(C(=CC(=O)[O-])CO)C6(C)O)C5CC(=O)[O-])C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-36(50)28(43)15-34(53-19)57-38-21(3)55-35(17-30(38)45)58-37-20(2)54-33(16-29(37)44)56-24-8-10-39(4)23(13-24)6-7-26(27(39)14-32(48)49)41(52)11-9-25(40(41,5)51)22(18-42)12-31(46)47/h12,19-21,23-27,29-30,33-38,42,44-45,50-52H,6-11,13-18H2,1-5H3,(H,46,47)(H,48,49)/b22-12?/t19?,20?,21?,23?,24?,25?,26?,27?,29?,30?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([OH:50])[C:28](=[O:43])[CH2:15][CH:34]([O:57][CH:38]2[CH:21]([CH3:3])[O:55][CH:35]([O:58][CH:37]3[CH:20]([CH3:2])[O:54][CH:33]([O:56][CH:24]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:23]([CH2:6][CH2:7][CH:26]([C:41]6([OH:52])[CH2:11][CH2:9][CH:25]([C:22](=[CH:12][C:31](=[O:46])[OH:47])[CH2:18][OH:42])[C:40]6([CH3:5])[OH:51])[CH:27]5[CH2:14][C:32](=[O:48])[OH:49])[CH2:13]4)[CH2:16][CH:29]3[OH:44])[CH2:17][CH:30]2[OH:45])[O:53]1 |
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