| Properties | Image |
|---|
| MNX_ID | MNXM1190237 |
 |
| reference | envipathM:...1db1d0fbc330 |
| formula | C35H57O14 |
| global charge | -1 |
| mol weight | 701.827 |
| InChIKey | YJYWWLKPQGLULW-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H58O14/c1-16-28(40)22(37)12-27(46-16)49-30-17(2)47-26(13-23(30)38)48-19-6-8-32(3)18(11-19)5-9-34(44)24(32)14-25(39)33(4)21(7-10-35(33,34)45)20(15-36)29(41)31(42)43/h16-30,36-41,44-45H,5-15H2,1-4H3,(H,42,43)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5(O)C4CC(O)C4(C)C(C(CO)C(O)C(=O)[O-])CCC54O)C3)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H58O14/c1-16-28(40)22(37)12-27(46-16)49-30-17(2)47-26(13-23(30)38)48-19-6-8-32(3)18(11-19)5-9-34(44)24(32)14-25(39)33(4)21(7-10-35(33,34)45)20(15-36)29(41)31(42)43/h16-30,36-41,44-45H,5-15H2,1-4H3,(H,42,43)/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:16]1[CH:28]([OH:40])[CH:22]([OH:37])[CH2:12][CH:27]([O:49][CH:30]2[CH:17]([CH3:2])[O:47][CH:26]([O:48][CH:19]3[CH2:6][CH2:8][C:32]4([CH3:3])[CH:18]([CH2:5][CH2:9][C:34]5([OH:44])[CH:24]4[CH2:14][CH:25]([OH:39])[C:33]4([CH3:4])[CH:21]([CH:20]([CH2:15][OH:36])[CH:29]([C:31](=[O:42])[OH:43])[OH:41])[CH2:7][CH2:10][C:35]45[OH:45])[CH2:11]3)[CH2:13][CH:23]2[OH:38])[O:46]1 |
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