| Properties | Image |
|---|
| MNX_ID | MNXM1187888 |
 |
| reference | envipathM:...93c83487a5c6 |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | PAEAWNUTKODVTH-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-18-35(58-32-15-26(45)36(19(2)55-32)59-33-13-24(43)34(49)27(17-42)57-33)25(44)14-31(54-18)56-21-7-9-38(3)20(11-21)5-6-22-23(38)12-29(46)39(4)28(8-10-41(22,39)53)40(52,37(50)51)16-30(47)48/h17-29,31-37,43-46,49-53H,5-16H2,1-4H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(C(O)(CC(=O)[O-])C(O)O)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-35(58-32-15-26(45)36(19(2)55-32)59-33-13-24(43)34(49)27(17-42)57-33)25(44)14-31(54-18)56-21-7-9-38(3)20(11-21)5-6-22-23(38)12-29(46)39(4)28(8-10-41(22,39)53)40(52,37(50)51)16-30(47)48/h17-29,31-37,43-46,49-53H,5-16H2,1-4H3,(H,47,48)/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:58][CH:32]2[CH2:15][CH:26]([OH:45])[CH:36]([O:59][CH:33]3[CH2:13][CH:24]([OH:43])[CH:34]([OH:49])[CH:27]([CH:17]=[O:42])[O:57]3)[CH:19]([CH3:2])[O:55]2)[CH:25]([OH:44])[CH2:14][CH:31]([O:56][CH:21]2[CH2:7][CH2:9][C:38]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:22]4[CH:23]3[CH2:12][CH:29]([OH:46])[C:39]3([CH3:4])[CH:28]([C:40]([CH2:16][C:30](=[O:47])[OH:48])([CH:37]([OH:50])[OH:51])[OH:52])[CH2:8][CH2:10][C:41]43[OH:53])[CH2:11]2)[O:54]1 |
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