| Properties | Image |
|---|
| MNX_ID | MNXM1186803 |
 |
| reference | envipathM:...2748ebeb7b8a |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | MXLDHOGYUUOWIM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-17-36(49)26(43)13-33(52-17)56-38-19(3)54-34(15-28(38)45)57-37-18(2)53-32(14-27(37)44)55-22-9-21-10-25(42)35-24(39(21,4)29(46)11-22)12-30(47)40(5)23(6-7-41(35,40)50)20-8-31(48)51-16-20/h17-24,26-29,32-38,43-46,49-50H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CC(=O)C6C5CC(=O)C5(C)C(C7COC(=O)C7)CCC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-17-36(49)26(43)13-33(52-17)56-38-19(3)54-34(15-28(38)45)57-37-18(2)53-32(14-27(37)44)55-22-9-21-10-25(42)35-24(39(21,4)29(46)11-22)12-30(47)40(5)23(6-7-41(35,40)50)20-8-31(48)51-16-20/h17-24,26-29,32-38,43-46,49-50H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:49])[CH:26]([OH:43])[CH2:13][CH:33]([O:56][CH:38]2[CH:19]([CH3:3])[O:54][CH:34]([O:57][CH:37]3[CH:18]([CH3:2])[O:53][CH:32]([O:55][CH:22]4[CH2:9][CH:21]5[CH2:10][C:25](=[O:42])[CH:35]6[CH:24]([CH2:12][C:30](=[O:47])[C:40]7([CH3:5])[CH:23]([CH:20]8[CH2:8][C:31](=[O:48])[O:51][CH2:16]8)[CH2:6][CH2:7][C:41]67[OH:50])[C:39]5([CH3:4])[CH:29]([OH:46])[CH2:11]4)[CH2:14][CH:27]3[OH:44])[CH2:15][CH:28]2[OH:45])[O:52]1 |
|