| Properties | Image |
|---|
| MNX_ID | MNXM1189290 |
 |
| reference | envipathM:...dee10949ad9e |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | MQFJXARRYWMBBH-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-19-35(58-32-14-26(46)36(20(2)55-32)59-33-12-24(44)34(50)27(18-43)57-33)25(45)13-31(54-19)56-22-5-8-37(3)39(51,15-22)9-7-28-40(52)10-6-23(21(17-42)11-30(48)49)38(40,4)29(47)16-41(28,37)53/h11,19-20,22-28,31-36,42-46,50-53H,5-10,12-18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(O)(CCC4C5(O)CCC(C(=CC(=O)[O-])CO)C5(C)C(=O)CC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-19-35(58-32-14-26(46)36(20(2)55-32)59-33-12-24(44)34(50)27(18-43)57-33)25(45)13-31(54-19)56-22-5-8-37(3)39(51,15-22)9-7-28-40(52)10-6-23(21(17-42)11-30(48)49)38(40,4)29(47)16-41(28,37)53/h11,19-20,22-28,31-36,42-46,50-53H,5-10,12-18H2,1-4H3,(H,48,49)/b21-11?/t19?,20?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([O:58][CH:32]2[CH2:14][CH:26]([OH:46])[CH:36]([O:59][CH:33]3[CH2:12][CH:24]([OH:44])[CH:34]([OH:50])[CH:27]([CH2:18][OH:43])[O:57]3)[CH:20]([CH3:2])[O:55]2)[CH:25]([OH:45])[CH2:13][CH:31]([O:56][CH:22]2[CH2:5][CH2:8][C:37]3([CH3:3])[C:39]([OH:51])([CH2:9][CH2:7][CH:28]4[C:40]5([OH:52])[CH2:10][CH2:6][CH:23]([C:21](=[CH:11][C:30](=[O:48])[OH:49])[CH2:17][OH:42])[C:38]5([CH3:4])[C:29](=[O:47])[CH2:16][C:41]43[OH:53])[CH2:15]2)[O:54]1 |
|