| Properties | Image |
|---|
| MNX_ID | MNXM1197771 |
 |
| reference | envipathM:...94479ea779f3 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | RSCXWSKMFOATKA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-19-33(48)23(43)12-30(54-19)58-34-20(2)55-31(13-24(34)44)59-35-25(45)14-32(57-26(35)17-42)56-22-5-6-36(3)27-15-28(46)37(4)39(50,21-11-29(47)53-18-21)9-10-41(37,52)40(27,51)8-7-38(36,49)16-22/h11,19-20,22-27,30-35,42-45,48-52H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(=O)C7(C)C(O)(C8=CC(=O)OC8)CCC7(O)C6(O)CCC5(O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-19-33(48)23(43)12-30(54-19)58-34-20(2)55-31(13-24(34)44)59-35-25(45)14-32(57-26(35)17-42)56-22-5-6-36(3)27-15-28(46)37(4)39(50,21-11-29(47)53-18-21)9-10-41(37,52)40(27,51)8-7-38(36,49)16-22/h11,19-20,22-27,30-35,42-45,48-52H,5-10,12-18H2,1-4H3/t19?,20?,22?,23?,24?,25?,26?,27?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:33]([OH:48])[CH:23]([OH:43])[CH2:12][CH:30]([O:58][CH:34]2[CH:20]([CH3:2])[O:55][CH:31]([O:59][CH:35]3[CH:25]([OH:45])[CH2:14][CH:32]([O:56][CH:22]4[CH2:5][CH2:6][C:36]5([CH3:3])[CH:27]6[CH2:15][C:28](=[O:46])[C:37]7([CH3:4])[C:39]([C:21]8=[CH:11][C:29](=[O:47])[O:53][CH2:18]8)([OH:50])[CH2:9][CH2:10][C:41]7([OH:52])[C:40]6([OH:51])[CH2:8][CH2:7][C:38]5([OH:49])[CH2:16]4)[O:57][CH:26]3[CH2:17][OH:42])[CH2:13][CH:24]2[OH:44])[O:54]1 |
|