| Properties | Image |
|---|
| MNX_ID | MNXM1198337 |
 |
| reference | envipathM:...386b220a7d24 |
| formula | C41H58O16 |
| global charge | 0 |
| mol weight | 806.899 |
| InChIKey | PFUQOTRBFJAYIZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O16/c1-18-36(49)26(44)13-32(52-18)56-37-19(2)53-33(14-27(37)45)57-38-28(46)15-34(55-29(38)16-42)54-22-5-7-39(3)21(10-22)11-25(43)35-24(39)12-30(47)40(4)23(6-8-41(35,40)50)20-9-31(48)51-17-20/h9,18-19,21-24,27-29,32-38,42,45-46,49-50H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CC(=O)C6C5CC(=O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3CO)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O16/c1-18-36(49)26(44)13-32(52-18)56-37-19(2)53-33(14-27(37)45)57-38-28(46)15-34(55-29(38)16-42)54-22-5-7-39(3)21(10-22)11-25(43)35-24(39)12-30(47)40(4)23(6-8-41(35,40)50)20-9-31(48)51-17-20/h9,18-19,21-24,27-29,32-38,42,45-46,49-50H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:49])[C:26](=[O:44])[CH2:13][CH:32]([O:56][CH:37]2[CH:19]([CH3:2])[O:53][CH:33]([O:57][CH:38]3[CH:28]([OH:46])[CH2:15][CH:34]([O:54][CH:22]4[CH2:5][CH2:7][C:39]5([CH3:3])[CH:21]([CH2:10]4)[CH2:11][C:25](=[O:43])[CH:35]4[CH:24]5[CH2:12][C:30](=[O:47])[C:40]5([CH3:4])[CH:23]([C:20]6=[CH:9][C:31](=[O:48])[O:51][CH2:17]6)[CH2:6][CH2:8][C:41]45[OH:50])[O:55][CH:29]3[CH2:16][OH:42])[CH2:14][CH:27]2[OH:45])[O:52]1 |
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