| Properties | Image |
|---|
| MNX_ID | MNXM1196874 |
 |
| reference | envipathM:...cee4083c8df0 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | DCSQNCAWWPQSIT-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-37(57-34-15-28(46)38(19(2)54-34)58-35-13-26(44)36(51)29(17-43)56-35)27(45)14-33(53-18)55-22-10-21-5-6-24-25(39(21,3)30(47)11-22)12-31(48)40(4)23(7-8-41(24,40)52)20(16-42)9-32(49)50/h9,17-19,21-25,27-31,33-38,42,45-48,51-52H,5-8,10-16H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4C3CC(O)C3(C)C(C(=CC(=O)[O-])CO)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(C=O)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-37(57-34-15-28(46)38(19(2)54-34)58-35-13-26(44)36(51)29(17-43)56-35)27(45)14-33(53-18)55-22-10-21-5-6-24-25(39(21,3)30(47)11-22)12-31(48)40(4)23(7-8-41(24,40)52)20(16-42)9-32(49)50/h9,17-19,21-25,27-31,33-38,42,45-48,51-52H,5-8,10-16H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:37]([O:57][CH:34]2[CH2:15][CH:28]([OH:46])[CH:38]([O:58][CH:35]3[CH2:13][C:26](=[O:44])[CH:36]([OH:51])[CH:29]([CH:17]=[O:43])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:27]([OH:45])[CH2:14][CH:33]([O:55][CH:22]2[CH2:10][CH:21]3[CH2:5][CH2:6][CH:24]4[CH:25]([CH2:12][CH:31]([OH:48])[C:40]5([CH3:4])[CH:23]([C:20](=[CH:9][C:32](=[O:49])[OH:50])[CH2:16][OH:42])[CH2:7][CH2:8][C:41]45[OH:52])[C:39]3([CH3:3])[CH:30]([OH:47])[CH2:11]2)[O:53]1 |
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