| Properties | Image |
|---|
| MNX_ID | MNXM1180710 |
 |
| reference | envipathM:...e96cd1bc1fa9 |
| formula | C41H63O16 |
| global charge | -1 |
| mol weight | 811.939 |
| InChIKey | GHPATDJWCUOCGK-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O16/c1-19-35(49)27(43)14-33(52-19)56-37-21(3)54-34(16-29(37)45)57-36-20(2)53-32(15-28(36)44)55-23-6-9-38(4)26-13-30(46)39(5)24(22(18-42)12-31(47)48)8-11-41(39,51)25(26)7-10-40(38,50)17-23/h19-27,30,32-37,42-43,46,49-51H,6-18H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(O)C5(C)C(C(CO)CC(=O)[O-])CCC5(O)C4CCC3(O)C2)CC(=O)C1OC1CC(=O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-19-35(49)27(43)14-33(52-19)56-37-21(3)54-34(16-29(37)45)57-36-20(2)53-32(15-28(36)44)55-23-6-9-38(4)26-13-30(46)39(5)24(22(18-42)12-31(47)48)8-11-41(39,51)25(26)7-10-40(38,50)17-23/h19-27,30,32-37,42-43,46,49-51H,6-18H2,1-5H3,(H,47,48)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:49])[CH:27]([OH:43])[CH2:14][CH:33]([O:56][CH:37]2[CH:21]([CH3:3])[O:54][CH:34]([O:57][CH:36]3[CH:20]([CH3:2])[O:53][CH:32]([O:55][CH:23]4[CH2:6][CH2:9][C:38]5([CH3:4])[CH:26]6[CH2:13][CH:30]([OH:46])[C:39]7([CH3:5])[CH:24]([CH:22]([CH2:12][C:31](=[O:47])[OH:48])[CH2:18][OH:42])[CH2:8][CH2:11][C:41]7([OH:51])[CH:25]6[CH2:7][CH2:10][C:40]5([OH:50])[CH2:17]4)[CH2:15][C:28]3=[O:44])[CH2:16][C:29]2=[O:45])[O:52]1 |
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