| Properties | Image |
|---|
| MNX_ID | MNXM1138831 |
 |
| reference | envipathM:...6d701fcc9e0d |
| formula | C41H60O17 |
| global charge | -2 |
| mol weight | 824.914 |
| InChIKey | XHJYINAFNPQRRQ-UHFFFAOYSA-L |
| InChI | InChI=1S/C41H62O17/c1-18-35(56-32-16-28(45)36(19(2)54-32)57-33-14-26(43)34(49)37(58-33)38(50)51)27(44)15-31(53-18)55-22-7-9-39(3)21(12-22)5-6-24-25(39)13-29(46)40(4)23(8-10-41(24,40)52)20(17-42)11-30(47)48/h11,18-19,21-25,27-29,31-37,42,44-46,49,52H,5-10,12-17H2,1-4H3,(H,47,48)(H,50,51)/p-2 |
| SMILES | CC1OC(OC2CCC3(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)[O-])O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-35(56-32-16-28(45)36(19(2)54-32)57-33-14-26(43)34(49)37(58-33)38(50)51)27(44)15-31(53-18)55-22-7-9-39(3)21(12-22)5-6-24-25(39)13-29(46)40(4)23(8-10-41(24,40)52)20(17-42)11-30(47)48/h11,18-19,21-25,27-29,31-37,42,44-46,49,52H,5-10,12-17H2,1-4H3,(H,47,48)(H,50,51)/b20-11?/t18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:56][CH:32]2[CH2:16][CH:28]([OH:45])[CH:36]([O:57][CH:33]3[CH2:14][C:26](=[O:43])[CH:34]([OH:49])[CH:37]([C:38](=[O:50])[OH:51])[O:58]3)[CH:19]([CH3:2])[O:54]2)[CH:27]([OH:44])[CH2:15][CH:31]([O:55][CH:22]2[CH2:7][CH2:9][C:39]3([CH3:3])[CH:21]([CH2:5][CH2:6][CH:24]4[CH:25]3[CH2:13][CH:29]([OH:46])[C:40]3([CH3:4])[CH:23]([C:20](=[CH:11][C:30](=[O:47])[OH:48])[CH2:17][OH:42])[CH2:8][CH2:10][C:41]43[OH:52])[CH2:12]2)[O:53]1 |
|