| Properties | Image |
|---|
| MNX_ID | MNXM1192181 |
 |
| reference | envipathM:...3306c94f7ab0 |
| formula | C41H61O18 |
| global charge | -1 |
| mol weight | 841.921 |
| InChIKey | LXXLMGVAHHWVAP-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O18/c1-17-33(48)23(42)11-29(54-17)57-34-18(2)55-30(12-24(34)43)58-35-25(44)13-31(59-36(35)37(49)50)56-20-5-7-38(3)22-10-27(46)39(4)21(19-9-28(47)53-16-19)6-8-41(39,52)32(22)26(45)15-40(38,51)14-20/h9,17-18,20-27,29-36,42-46,48,51-52H,5-8,10-16H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8=CC(=O)OC8)CCC7(O)C6C(O)CC5(O)C4)OC3C(=O)[O-])OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-33(48)23(42)11-29(54-17)57-34-18(2)55-30(12-24(34)43)58-35-25(44)13-31(59-36(35)37(49)50)56-20-5-7-38(3)22-10-27(46)39(4)21(19-9-28(47)53-16-19)6-8-41(39,52)32(22)26(45)15-40(38,51)14-20/h9,17-18,20-27,29-36,42-46,48,51-52H,5-8,10-16H2,1-4H3,(H,49,50)/t17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:33]([OH:48])[CH:23]([OH:42])[CH2:11][CH:29]([O:57][CH:34]2[CH:18]([CH3:2])[O:55][CH:30]([O:58][CH:35]3[CH:25]([OH:44])[CH2:13][CH:31]([O:56][CH:20]4[CH2:5][CH2:7][C:38]5([CH3:3])[CH:22]6[CH2:10][CH:27]([OH:46])[C:39]7([CH3:4])[CH:21]([C:19]8=[CH:9][C:28](=[O:47])[O:53][CH2:16]8)[CH2:6][CH2:8][C:41]7([OH:52])[CH:32]6[CH:26]([OH:45])[CH2:15][C:40]5([OH:51])[CH2:14]4)[O:59][CH:36]3[C:37](=[O:49])[OH:50])[CH2:12][CH:24]2[OH:43])[O:54]1 |
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