| Properties | Image |
|---|
| MNX_ID | MNXM1193205 |
 |
| reference | envipathM:...796ba167db24 |
| formula | C41H65O18 |
| global charge | -1 |
| mol weight | 845.953 |
| InChIKey | YOSMSVPBAJZZGQ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O18/c1-19-34(50)25(44)13-31(54-19)58-35-20(2)55-32(14-26(35)45)59-36-27(46)15-33(57-28(36)17-42)56-22-7-8-37(3)21(11-22)5-6-23-24(37)12-29(47)38(4)40(23,52)9-10-41(38,53)39(51,18-43)16-30(48)49/h19-29,31-33,35-36,42-47,51-53H,5-18H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C6(O)CCC5(O)C(O)(CO)CC(=O)[O-])C4)OC3CO)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-19-34(50)25(44)13-31(54-19)58-35-20(2)55-32(14-26(35)45)59-36-27(46)15-33(57-28(36)17-42)56-22-7-8-37(3)21(11-22)5-6-23-24(37)12-29(47)38(4)40(23,52)9-10-41(38,53)39(51,18-43)16-30(48)49/h19-29,31-33,35-36,42-47,51-53H,5-18H2,1-4H3,(H,48,49)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[C:34](=[O:50])[CH:25]([OH:44])[CH2:13][CH:31]([O:58][CH:35]2[CH:20]([CH3:2])[O:55][CH:32]([O:59][CH:36]3[CH:27]([OH:46])[CH2:15][CH:33]([O:56][CH:22]4[CH2:7][CH2:8][C:37]5([CH3:3])[CH:21]([CH2:5][CH2:6][CH:23]6[CH:24]5[CH2:12][CH:29]([OH:47])[C:38]5([CH3:4])[C:40]6([OH:52])[CH2:9][CH2:10][C:41]5([C:39]([CH2:16][C:30](=[O:48])[OH:49])([CH2:18][OH:43])[OH:51])[OH:53])[CH2:11]4)[O:57][CH:28]3[CH2:17][OH:42])[CH2:14][CH:26]2[OH:45])[O:54]1 |
|