| Properties | Image |
|---|
| MNX_ID | MNXM1194829 |
 |
| reference | envipathM:...72d0cb3c6eff |
| formula | C35H57O13 |
| global charge | -1 |
| mol weight | 685.828 |
| InChIKey | BMTDILNDNKGRBH-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H58O13/c1-17-30(42)24(37)13-29(45-17)48-31-18(2)46-28(14-25(31)38)47-20-5-8-32(3)23-12-26(39)33(4)21(19(16-36)11-27(40)41)7-10-35(33,44)22(23)6-9-34(32,43)15-20/h17-26,28-31,36-39,42-44H,5-16H2,1-4H3,(H,40,41)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C5CC(O)C6(C)C(C(CO)CC(=O)[O-])CCC6(O)C5CCC4(O)C3)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H58O13/c1-17-30(42)24(37)13-29(45-17)48-31-18(2)46-28(14-25(31)38)47-20-5-8-32(3)23-12-26(39)33(4)21(19(16-36)11-27(40)41)7-10-35(33,44)22(23)6-9-34(32,43)15-20/h17-26,28-31,36-39,42-44H,5-16H2,1-4H3,(H,40,41)/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,28?,29?,30?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:30]([OH:42])[CH:24]([OH:37])[CH2:13][CH:29]([O:48][CH:31]2[CH:18]([CH3:2])[O:46][CH:28]([O:47][CH:20]3[CH2:5][CH2:8][C:32]4([CH3:3])[CH:23]5[CH2:12][CH:26]([OH:39])[C:33]6([CH3:4])[CH:21]([CH:19]([CH2:11][C:27](=[O:40])[OH:41])[CH2:16][OH:36])[CH2:7][CH2:10][C:35]6([OH:44])[CH:22]5[CH2:6][CH2:9][C:34]4([OH:43])[CH2:15]3)[CH2:14][CH:25]2[OH:38])[O:45]1 |
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