| Properties | Image |
|---|
| MNX_ID | MNXM1187967 |
 |
| reference | envipathM:...de0531086213 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | RZKBXHNRTFGYIN-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-19-35(48)26(43)13-33(52-19)57-37-28(45)15-34(55-29(37)17-42)56-36-20(2)53-32(14-27(36)44)54-22-5-8-38(3)25-12-30(46)39(4)23(21-11-31(47)51-18-21)7-10-41(39,50)24(25)6-9-40(38,49)16-22/h17,19-29,32-37,43-45,48-50H,5-16,18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(=O)C7(C)C(C8COC(=O)C8)CCC7(O)C6CCC5(O)C4)OC3C)OC2C=O)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-19-35(48)26(43)13-33(52-19)57-37-28(45)15-34(55-29(37)17-42)56-36-20(2)53-32(14-27(36)44)54-22-5-8-38(3)25-12-30(46)39(4)23(21-11-31(47)51-18-21)7-10-41(39,50)24(25)6-9-40(38,49)16-22/h17,19-29,32-37,43-45,48-50H,5-16,18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:48])[CH:26]([OH:43])[CH2:13][CH:33]([O:57][CH:37]2[CH:28]([OH:45])[CH2:15][CH:34]([O:56][CH:36]3[CH:20]([CH3:2])[O:53][CH:32]([O:54][CH:22]4[CH2:5][CH2:8][C:38]5([CH3:3])[CH:25]6[CH2:12][C:30](=[O:46])[C:39]7([CH3:4])[CH:23]([CH:21]8[CH2:11][C:31](=[O:47])[O:51][CH2:18]8)[CH2:7][CH2:10][C:41]7([OH:50])[CH:24]6[CH2:6][CH2:9][C:40]5([OH:49])[CH2:16]4)[CH2:14][CH:27]3[OH:44])[O:55][CH:29]2[CH:17]=[O:42])[O:52]1 |
|