| Properties | Image |
|---|
| MNX_ID | MNXM1192528 |
 |
| reference | envipathM:...d513efe63cb1 |
| formula | C41H59O16 |
| global charge | -1 |
| mol weight | 807.907 |
| InChIKey | PCZREBOSZWPKBK-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H60O16/c1-18-36(50)28(44)14-34(52-18)56-38-20(3)54-35(16-30(38)46)57-37-19(2)53-33(15-29(37)45)55-22-6-8-39(4)24-13-31(47)40(5)23(21(17-42)10-32(48)49)7-9-41(40,51)25(24)12-27(43)26(39)11-22/h10,18-20,22-28,33-38,42-44,50-51H,6-9,11-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(=O)C3(C)C(C(=CC(=O)[O-])CO)CCC23O)CC(=O)C1OC1CC(=O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-36(50)28(44)14-34(52-18)56-38-20(3)54-35(16-30(38)46)57-37-19(2)53-33(15-29(37)45)55-22-6-8-39(4)24-13-31(47)40(5)23(21(17-42)10-32(48)49)7-9-41(40,51)25(24)12-27(43)26(39)11-22/h10,18-20,22-28,33-38,42-44,50-51H,6-9,11-17H2,1-5H3,(H,48,49)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:50])[CH:28]([OH:44])[CH2:14][CH:34]([O:56][CH:38]2[CH:20]([CH3:3])[O:54][CH:35]([O:57][CH:37]3[CH:19]([CH3:2])[O:53][CH:33]([O:55][CH:22]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:24]6[CH2:13][C:31](=[O:47])[C:40]7([CH3:5])[CH:23]([C:21](=[CH:10][C:32](=[O:48])[OH:49])[CH2:17][OH:42])[CH2:7][CH2:9][C:41]7([OH:51])[CH:25]6[CH2:12][CH:27]([OH:43])[CH:26]5[CH2:11]4)[CH2:15][C:29]3=[O:45])[CH2:16][C:30]2=[O:46])[O:52]1 |
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