| Properties | Image |
|---|
| MNX_ID | MNXM1196247 |
 |
| reference | envipathM:...7a41d36765d4 |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | FHEHLVUQDYIHKZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-18-35(48)26(43)13-33(52-18)56-37-20(3)54-34(15-28(37)45)57-36-19(2)53-32(14-27(36)44)55-22-6-8-38(4)24(11-22)25(42)12-29-40(49)9-7-23(21-10-31(47)51-17-21)39(40,5)30(46)16-41(29,38)50/h10,18-20,22-26,29-30,32-34,36-37,42-43,46,49-50H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(=O)CC(OC4CCC5(C)C(C4)C(O)CC4C5(O)CC(O)C5(C)C(C6=CC(=O)OC6)CCC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-18-35(48)26(43)13-33(52-18)56-37-20(3)54-34(15-28(37)45)57-36-19(2)53-32(14-27(36)44)55-22-6-8-38(4)24(11-22)25(42)12-29-40(49)9-7-23(21-10-31(47)51-17-21)39(40,5)30(46)16-41(29,38)50/h10,18-20,22-26,29-30,32-34,36-37,42-43,46,49-50H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,29?,30?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:35](=[O:48])[CH:26]([OH:43])[CH2:13][CH:33]([O:56][CH:37]2[CH:20]([CH3:3])[O:54][CH:34]([O:57][CH:36]3[CH:19]([CH3:2])[O:53][CH:32]([O:55][CH:22]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:24]([CH2:11]4)[CH:25]([OH:42])[CH2:12][CH:29]4[C:40]6([OH:49])[CH2:9][CH2:7][CH:23]([C:21]7=[CH:10][C:31](=[O:47])[O:51][CH2:17]7)[C:39]6([CH3:5])[CH:30]([OH:46])[CH2:16][C:41]45[OH:50])[CH2:14][C:27]3=[O:44])[CH2:15][C:28]2=[O:45])[O:52]1 |
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