| Properties | Image |
|---|
| MNX_ID | MNXM1171097 |
 |
| reference | envipathM:...e165bf6c1ffd |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | SLBOYXJMXGBTPE-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-18-34(48)26(42)14-32(53-18)57-36-20(3)55-33(16-28(36)44)58-35-19(2)54-31(15-27(35)43)56-21-6-9-38(4)25-13-29(45)39(5)23(22(37(49)50)12-30(46)47)8-11-41(39,52)24(25)7-10-40(38,51)17-21/h12,18-21,23-27,29,31-37,42-43,45,48-52H,6-11,13-17H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C5CC(O)C6(C)C(C(=CC(=O)[O-])C(O)O)CCC6(O)C5CCC4(O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-34(48)26(42)14-32(53-18)57-36-20(3)55-33(16-28(36)44)58-35-19(2)54-31(15-27(35)43)56-21-6-9-38(4)25-13-29(45)39(5)23(22(37(49)50)12-30(46)47)8-11-41(39,52)24(25)7-10-40(38,51)17-21/h12,18-21,23-27,29,31-37,42-43,45,48-52H,6-11,13-17H2,1-5H3,(H,46,47)/b22-12?/t18?,19?,20?,21?,23?,24?,25?,26?,27?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[CH:26]([OH:42])[CH2:14][CH:32]([O:57][CH:36]2[CH:20]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:19]([CH3:2])[O:54][CH:31]([O:56][CH:21]4[CH2:6][CH2:9][C:38]5([CH3:4])[CH:25]6[CH2:13][CH:29]([OH:45])[C:39]7([CH3:5])[CH:23]([C:22](=[CH:12][C:30](=[O:46])[OH:47])[CH:37]([OH:49])[OH:50])[CH2:8][CH2:11][C:41]7([OH:52])[CH:24]6[CH2:7][CH2:10][C:40]5([OH:51])[CH2:17]4)[CH2:15][CH:27]3[OH:43])[CH2:16][C:28]2=[O:44])[O:53]1 |
|