| Properties | Image |
|---|
| MNX_ID | MNXM1185529 |
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| reference | envipathM:...97d9f7b28c76 |
| formula | C35H51O14 |
| global charge | -1 |
| mol weight | 695.779 |
| InChIKey | TWBWVQCFRYMFEX-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H52O14/c1-17-30(49-29-14-24(38)31(42)47-18(2)46-29)23(37)13-28(45-17)48-21-7-9-32(3)20(12-21)5-6-25-34(43)10-8-22(19(16-36)11-27(40)41)33(34,4)26(39)15-35(25,32)44/h11,16-18,20-26,28-30,37-39,43-44H,5-10,12-15H2,1-4H3,(H,40,41)/p-1 |
| SMILES | CC1OC(=O)C(O)CC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4(O)CC(O)C4(C)C(C(C=O)=CC(=O)[O-])CCC54O)C3)OC2C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C35H52O14/c1-17-30(49-29-14-24(38)31(42)47-18(2)46-29)23(37)13-28(45-17)48-21-7-9-32(3)20(12-21)5-6-25-34(43)10-8-22(19(16-36)11-27(40)41)33(34,4)26(39)15-35(25,32)44/h11,16-18,20-26,28-30,37-39,43-44H,5-10,12-15H2,1-4H3,(H,40,41)/b19-11?/t17?,18?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:30]([O:49][CH:29]2[CH2:14][CH:24]([OH:38])[C:31](=[O:42])[O:47][CH:18]([CH3:2])[O:46]2)[CH:23]([OH:37])[CH2:13][CH:28]([O:48][CH:21]2[CH2:7][CH2:9][C:32]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:25]4[C:34]5([OH:43])[CH2:10][CH2:8][CH:22]([C:19](=[CH:11][C:27](=[O:40])[OH:41])[CH:16]=[O:36])[C:33]5([CH3:4])[CH:26]([OH:39])[CH2:15][C:35]43[OH:44])[CH2:12]2)[O:45]1 |
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