| Properties | Image |
|---|
| MNX_ID | MNXM1194356 |
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| reference | envipathM:...7d1357dd68da |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | QEJWIZDUDWXMAM-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-19-34(49)26(43)14-32(53-19)57-36-21(3)55-33(16-28(36)45)58-35-20(2)54-31(15-27(35)44)56-24-7-9-37(4)23(13-24)6-10-40(51)39(50)11-8-25(22(18-42)12-30(47)48)38(39,5)29(46)17-41(37,40)52/h19-27,29,31-36,42-44,46,49-52H,6-18H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5(O)C4(O)CC(O)C4(C)C(C(CO)CC(=O)[O-])CCC45O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-19-34(49)26(43)14-32(53-19)57-36-21(3)55-33(16-28(36)45)58-35-20(2)54-31(15-27(35)44)56-24-7-9-37(4)23(13-24)6-10-40(51)39(50)11-8-25(22(18-42)12-30(47)48)38(39,5)29(46)17-41(37,40)52/h19-27,29,31-36,42-44,46,49-52H,6-18H2,1-5H3,(H,47,48)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:49])[CH:26]([OH:43])[CH2:14][CH:32]([O:57][CH:36]2[CH:21]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:20]([CH3:2])[O:54][CH:31]([O:56][CH:24]4[CH2:7][CH2:9][C:37]5([CH3:4])[CH:23]([CH2:6][CH2:10][C:40]6([OH:51])[C:39]7([OH:50])[CH2:11][CH2:8][CH:25]([CH:22]([CH2:12][C:30](=[O:47])[OH:48])[CH2:18][OH:42])[C:38]7([CH3:5])[CH:29]([OH:46])[CH2:17][C:41]56[OH:52])[CH2:13]4)[CH2:15][CH:27]3[OH:44])[CH2:16][C:28]2=[O:45])[O:53]1 |
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