| Properties | Image |
|---|
| MNX_ID | MNXM1192855 |
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| reference | envipathM:...31d9e3ed96d9 |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | VGCNNDNYOAYYRX-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-19-35(58-32-14-25(46)36(20(2)55-32)59-33-12-23(44)34(50)26(17-42)57-33)24(45)13-31(54-19)56-22-6-8-37(3)21(11-22)5-9-40(52)28(37)15-29(47)38(4)27(7-10-41(38,40)53)39(51,18-43)16-30(48)49/h19-22,24-29,31-36,42-43,45-47,50-53H,5-18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(C(O)(CO)CC(=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/C41H66O18/c1-19-35(58-32-14-25(46)36(20(2)55-32)59-33-12-23(44)34(50)26(17-42)57-33)24(45)13-31(54-19)56-22-6-8-37(3)21(11-22)5-9-40(52)28(37)15-29(47)38(4)27(7-10-41(38,40)53)39(51,18-43)16-30(48)49/h19-22,24-29,31-36,42-43,45-47,50-53H,5-18H2,1-4H3,(H,48,49)/t19?,20?,21?,22?,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:19]1[CH:35]([O:58][CH:32]2[CH2:14][CH:25]([OH:46])[CH:36]([O:59][CH:33]3[CH2:12][C:23](=[O:44])[CH:34]([OH:50])[CH:26]([CH2:17][OH:42])[O:57]3)[CH:20]([CH3:2])[O:55]2)[CH:24]([OH:45])[CH2:13][CH:31]([O:56][CH:22]2[CH2:6][CH2:8][C:37]3([CH3:3])[CH:21]([CH2:5][CH2:9][C:40]4([OH:52])[CH:28]3[CH2:15][CH:29]([OH:47])[C:38]3([CH3:4])[CH:27]([C:39]([CH2:16][C:30](=[O:48])[OH:49])([CH2:18][OH:43])[OH:51])[CH2:7][CH2:10][C:41]34[OH:53])[CH2:11]2)[O:54]1 |
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