| Properties | Image |
|---|
| MNX_ID | MNXM1174617 |
 |
| reference | envipathM:...31a8bfec1c52 |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | WFAUKJGTCPVESF-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-17-35(58-32-14-25(45)36(18(2)54-32)59-33-12-23(43)34(49)26(16-42)56-33)24(44)13-31(53-17)55-20-9-19-5-6-21-22(38(19,3)28(46)10-20)11-29(47)39(4)27(7-8-41(21,39)52)40(51)15-30(48)57-37(40)50/h17-29,31-36,42-47,49,51-52H,5-16H2,1-4H3 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4C3CC(O)C3(C)C(C5(O)CC(=O)OC5=O)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-35(58-32-14-25(45)36(18(2)54-32)59-33-12-23(43)34(49)26(16-42)56-33)24(44)13-31(53-17)55-20-9-19-5-6-21-22(38(19,3)28(46)10-20)11-29(47)39(4)27(7-8-41(21,39)52)40(51)15-30(48)57-37(40)50/h17-29,31-36,42-47,49,51-52H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([O:58][CH:32]2[CH2:14][CH:25]([OH:45])[CH:36]([O:59][CH:33]3[CH2:12][CH:23]([OH:43])[CH:34]([OH:49])[CH:26]([CH2:16][OH:42])[O:56]3)[CH:18]([CH3:2])[O:54]2)[CH:24]([OH:44])[CH2:13][CH:31]([O:55][CH:20]2[CH2:9][CH:19]3[CH2:5][CH2:6][CH:21]4[CH:22]([CH2:11][CH:29]([OH:47])[C:39]5([CH3:4])[CH:27]([C:40]6([OH:51])[CH2:15][C:30](=[O:48])[O:57][C:37]6=[O:50])[CH2:7][CH2:8][C:41]45[OH:52])[C:38]3([CH3:3])[CH:28]([OH:46])[CH2:10]2)[O:53]1 |
|