| Properties | Image |
|---|
| MNX_ID | MNXM1190127 |
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| reference | envipathM:...57c786564a38 |
| formula | C41H65O19 |
| global charge | -1 |
| mol weight | 861.952 |
| InChIKey | OPNQAVGLXBWQAJ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O19/c1-18-34(51)23(44)11-31(55-18)59-35-19(2)56-32(12-24(35)45)60-36-25(46)13-33(58-27(36)17-43)57-21-5-6-37(3)22(10-21)26(47)15-40(53)28(37)14-29(48)38(4)39(52,7-8-41(38,40)54)20(16-42)9-30(49)50/h9,18-19,21-29,31-36,42-48,51-54H,5-8,10-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4(O)C5CC(O)C5(C)C(O)(C(=CC(=O)[O-])CO)CCC45O)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O19/c1-18-34(51)23(44)11-31(55-18)59-35-19(2)56-32(12-24(35)45)60-36-25(46)13-33(58-27(36)17-43)57-21-5-6-37(3)22(10-21)26(47)15-40(53)28(37)14-29(48)38(4)39(52,7-8-41(38,40)54)20(16-42)9-30(49)50/h9,18-19,21-29,31-36,42-48,51-54H,5-8,10-17H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:51])[CH:23]([OH:44])[CH2:11][CH:31]([O:59][CH:35]2[CH:19]([CH3:2])[O:56][CH:32]([O:60][CH:36]3[CH:25]([OH:46])[CH2:13][CH:33]([O:57][CH:21]4[CH2:5][CH2:6][C:37]5([CH3:3])[CH:22]([CH2:10]4)[CH:26]([OH:47])[CH2:15][C:40]4([OH:53])[CH:28]5[CH2:14][CH:29]([OH:48])[C:38]5([CH3:4])[C:39]([C:20](=[CH:9][C:30](=[O:49])[OH:50])[CH2:16][OH:42])([OH:52])[CH2:7][CH2:8][C:41]54[OH:54])[O:58][CH:27]3[CH2:17][OH:43])[CH2:12][CH:24]2[OH:45])[O:55]1 |
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