| Properties | Image |
|---|
| MNX_ID | MNXM1183215 |
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| reference | envipathM:...1f2764e37d55 |
| formula | C35H53O15 |
| global charge | -1 |
| mol weight | 713.794 |
| InChIKey | NHDVHPXAYNSZCO-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O15/c1-17-30(49-28-13-23(39)31(43)50-29(16-37)48-28)22(38)12-27(46-17)47-20-5-7-32(2)19(11-20)4-8-34(44)24(32)14-25(40)33(3)21(6-9-35(33,34)45)18(15-36)10-26(41)42/h10,17,19-25,27-30,36-40,44-45H,4-9,11-16H2,1-3H3,(H,41,42)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(C(=CC(=O)[O-])CO)CCC43O)C2)CC(O)C1OC1CC(O)C(=O)OC(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H54O15/c1-17-30(49-28-13-23(39)31(43)50-29(16-37)48-28)22(38)12-27(46-17)47-20-5-7-32(2)19(11-20)4-8-34(44)24(32)14-25(40)33(3)21(6-9-35(33,34)45)18(15-36)10-26(41)42/h10,17,19-25,27-30,36-40,44-45H,4-9,11-16H2,1-3H3,(H,41,42)/b18-10?/t17?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:30]([O:49][CH:28]2[CH2:13][CH:23]([OH:39])[C:31](=[O:43])[O:50][CH:29]([CH2:16][OH:37])[O:48]2)[CH:22]([OH:38])[CH2:12][CH:27]([O:47][CH:20]2[CH2:5][CH2:7][C:32]3([CH3:2])[CH:19]([CH2:4][CH2:8][C:34]4([OH:44])[CH:24]3[CH2:14][CH:25]([OH:40])[C:33]3([CH3:3])[CH:21]([C:18](=[CH:10][C:26](=[O:41])[OH:42])[CH2:15][OH:36])[CH2:6][CH2:9][C:35]34[OH:45])[CH2:11]2)[O:46]1 |
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