| Properties | Image |
|---|
| MNX_ID | MNXM1185216 |
 |
| reference | envipathM:...73169a860a3d |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | LRKHEOAHPBNMHV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-19-34(58-31-14-25(45)35(20(2)55-31)59-32-12-23(43)33(48)26(17-42)57-32)24(44)13-30(54-19)56-22-5-7-36(3)38(49,15-22)8-6-27-40(51)10-9-39(50,21-11-29(47)53-18-21)37(40,4)28(46)16-41(27,36)52/h11,19-20,22-28,30-35,42-46,48-52H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(O)(CCC4C3(O)CC(O)C3(C)C(O)(C5=CC(=O)OC5)CCC43O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-19-34(58-31-14-25(45)35(20(2)55-31)59-32-12-23(43)33(48)26(17-42)57-32)24(44)13-30(54-19)56-22-5-7-36(3)38(49,15-22)8-6-27-40(51)10-9-39(50,21-11-29(47)53-18-21)37(40,4)28(46)16-41(27,36)52/h11,19-20,22-28,30-35,42-46,48-52H,5-10,12-18H2,1-4H3/t19?,20?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([O:58][CH:31]2[CH2:14][CH:25]([OH:45])[CH:35]([O:59][CH:32]3[CH2:12][CH:23]([OH:43])[CH:33]([OH:48])[CH:26]([CH2:17][OH:42])[O:57]3)[CH:20]([CH3:2])[O:55]2)[CH:24]([OH:44])[CH2:13][CH:30]([O:56][CH:22]2[CH2:5][CH2:7][C:36]3([CH3:3])[C:38]([OH:49])([CH2:8][CH2:6][CH:27]4[C:40]5([OH:51])[CH2:10][CH2:9][C:39]([C:21]6=[CH:11][C:29](=[O:47])[O:53][CH2:18]6)([OH:50])[C:37]5([CH3:4])[CH:28]([OH:46])[CH2:16][C:41]43[OH:52])[CH2:15]2)[O:54]1 |
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