| Properties | Image |
|---|
| MNX_ID | MNXM1182428 |
 |
| reference | envipathM:...f4d056943865 |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | LZDRSSWZGNXUMB-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-19-34(49)26(43)14-32(53-19)57-36-21(3)55-33(16-28(36)45)58-35-20(2)54-31(15-27(35)44)56-23-6-8-37(4)25-13-29(46)38(5)40(51,22(18-42)12-30(47)48)10-11-41(38,52)24(25)7-9-39(37,50)17-23/h19-26,28-29,31-36,42-43,45-46,49-52H,6-18H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(O)(C(CO)CC(=O)[O-])CCC5(O)C4CCC3(O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-19-34(49)26(43)14-32(53-19)57-36-21(3)55-33(16-28(36)45)58-35-20(2)54-31(15-27(35)44)56-23-6-8-37(4)25-13-29(46)38(5)40(51,22(18-42)12-30(47)48)10-11-41(38,52)24(25)7-9-39(37,50)17-23/h19-26,28-29,31-36,42-43,45-46,49-52H,6-18H2,1-5H3,(H,47,48)/t19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:49])[CH:26]([OH:43])[CH2:14][CH:32]([O:57][CH:36]2[CH:21]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:20]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:6][CH2:8][C:37]5([CH3:4])[CH:25]6[CH2:13][CH:29]([OH:46])[C:38]7([CH3:5])[C:40]([CH:22]([CH2:12][C:30](=[O:47])[OH:48])[CH2:18][OH:42])([OH:51])[CH2:10][CH2:11][C:41]7([OH:52])[CH:24]6[CH2:7][CH2:9][C:39]5([OH:50])[CH2:17]4)[CH2:15][C:27]3=[O:44])[CH2:16][CH:28]2[OH:45])[O:53]1 |
|