| Properties | Image |
|---|
| MNX_ID | MNXM1196787 |
 |
| reference | envipathM:...80c788b62a41 |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | KFFDIFZIOQEHAX-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-18-36(58-33-14-27(47)37(19(2)55-33)59-34-12-25(45)35(51)28(16-42)57-34)26(46)13-32(54-18)56-20-5-7-38(3)21-11-30(48)39(4)29(40(52,17-43)15-31(49)50)6-8-41(39,53)22(21)10-24(44)23(38)9-20/h18-25,27-30,32-37,42-45,47-48,51-53H,5-17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(C(O)(CO)CC(=O)[O-])CCC23O)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-36(58-33-14-27(47)37(19(2)55-33)59-34-12-25(45)35(51)28(16-42)57-34)26(46)13-32(54-18)56-20-5-7-38(3)21-11-30(48)39(4)29(40(52,17-43)15-31(49)50)6-8-41(39,53)22(21)10-24(44)23(38)9-20/h18-25,27-30,32-37,42-45,47-48,51-53H,5-17H2,1-4H3,(H,49,50)/t18?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:58][CH:33]2[CH2:14][CH:27]([OH:47])[CH:37]([O:59][CH:34]3[CH2:12][CH:25]([OH:45])[CH:35]([OH:51])[CH:28]([CH2:16][OH:42])[O:57]3)[CH:19]([CH3:2])[O:55]2)[C:26](=[O:46])[CH2:13][CH:32]([O:56][CH:20]2[CH2:5][CH2:7][C:38]3([CH3:3])[CH:21]4[CH2:11][CH:30]([OH:48])[C:39]5([CH3:4])[CH:29]([C:40]([CH2:15][C:31](=[O:49])[OH:50])([CH2:17][OH:43])[OH:52])[CH2:6][CH2:8][C:41]5([OH:53])[CH:22]4[CH2:10][CH:24]([OH:44])[CH:23]3[CH2:9]2)[O:54]1 |
|