| Properties | Image |
|---|
| MNX_ID | MNXM1171832 |
 |
| reference | envipathM:...748750489ece |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | BBMRGFXMCJDWOZ-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-19-35(49)27(44)13-33(53-19)58-37-29(46)15-34(56-30(37)17-43)57-36-20(2)54-32(14-28(36)45)55-23-7-9-39(3)22(12-23)5-6-25-26(39)18-52-38(50)40(4)24(8-10-41(25,40)51)21(16-42)11-31(47)48/h11,17,19-20,22-30,32-37,42,44-46,49,51H,5-10,12-16,18H2,1-4H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5COC(=O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C=O)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-35(49)27(44)13-33(53-19)58-37-29(46)15-34(56-30(37)17-43)57-36-20(2)54-32(14-28(36)45)55-23-7-9-39(3)22(12-23)5-6-25-26(39)18-52-38(50)40(4)24(8-10-41(25,40)51)21(16-42)11-31(47)48/h11,17,19-20,22-30,32-37,42,44-46,49,51H,5-10,12-16,18H2,1-4H3,(H,47,48)/b21-11?/t19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:49])[CH:27]([OH:44])[CH2:13][CH:33]([O:58][CH:37]2[CH:29]([OH:46])[CH2:15][CH:34]([O:57][CH:36]3[CH:20]([CH3:2])[O:54][CH:32]([O:55][CH:23]4[CH2:7][CH2:9][C:39]5([CH3:3])[CH:22]([CH2:5][CH2:6][CH:25]6[CH:26]5[CH2:18][O:52][C:38](=[O:50])[C:40]5([CH3:4])[CH:24]([C:21](=[CH:11][C:31](=[O:47])[OH:48])[CH2:16][OH:42])[CH2:8][CH2:10][C:41]65[OH:51])[CH2:12]4)[CH2:14][CH:28]3[OH:45])[O:56][CH:30]2[CH:17]=[O:43])[O:53]1 |
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