| Properties | Image |
|---|
| MNX_ID | MNXM1196143 |
 |
| reference | envipathM:...bbaa2400998a |
| formula | C35H53O15 |
| global charge | -1 |
| mol weight | 713.794 |
| InChIKey | QQASLLXGUXHRSG-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O15/c1-16-31(50-29-11-21(38)30(44)23(15-37)49-29)22(39)12-28(47-16)48-19-4-6-32(2)18(9-19)10-26(41)35(46)24(32)13-25(40)33(3)20(5-7-34(33,35)45)17(14-36)8-27(42)43/h8,16,18-26,28-29,31,36-41,45-46H,4-7,9-15H2,1-3H3,(H,42,43)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2(O)C3CC(O)C3(C)C(C(=CC(=O)[O-])CO)CCC32O)CC(O)C1OC1CC(O)C(=O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H54O15/c1-16-31(50-29-11-21(38)30(44)23(15-37)49-29)22(39)12-28(47-16)48-19-4-6-32(2)18(9-19)10-26(41)35(46)24(32)13-25(40)33(3)20(5-7-34(33,35)45)17(14-36)8-27(42)43/h8,16,18-26,28-29,31,36-41,45-46H,4-7,9-15H2,1-3H3,(H,42,43)/b17-8?/t16?,18?,19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:31]([O:50][CH:29]2[CH2:11][CH:21]([OH:38])[C:30](=[O:44])[CH:23]([CH2:15][OH:37])[O:49]2)[CH:22]([OH:39])[CH2:12][CH:28]([O:48][CH:19]2[CH2:4][CH2:6][C:32]3([CH3:2])[CH:18]([CH2:9]2)[CH2:10][CH:26]([OH:41])[C:35]2([OH:46])[CH:24]3[CH2:13][CH:25]([OH:40])[C:33]3([CH3:3])[CH:20]([C:17](=[CH:8][C:27](=[O:42])[OH:43])[CH2:14][OH:36])[CH2:5][CH2:7][C:34]32[OH:45])[O:47]1 |
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