| Properties | Image |
|---|
| MNX_ID | MNXM1180445 |
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| reference | envipathM:...f16569c83f95 |
| formula | C35H53O15 |
| global charge | -1 |
| mol weight | 713.794 |
| InChIKey | JKEMBZFYNWDGOI-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H54O15/c1-16-28(41)22(36)13-27(47-16)50-29-17(2)48-26(14-23(29)37)49-18-5-7-31(3)20-11-24(38)32(4)34(45,19(20)6-8-33(31,44)15-18)9-10-35(32,46)21(30(42)43)12-25(39)40/h12,16-20,22-24,26-27,29-30,36-38,42-46H,5-11,13-15H2,1-4H3,(H,39,40)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C5CC(O)C6(C)C(O)(C(=CC(=O)[O-])C(O)O)CCC6(O)C5CCC4(O)C3)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H54O15/c1-16-28(41)22(36)13-27(47-16)50-29-17(2)48-26(14-23(29)37)49-18-5-7-31(3)20-11-24(38)32(4)34(45,19(20)6-8-33(31,44)15-18)9-10-35(32,46)21(30(42)43)12-25(39)40/h12,16-20,22-24,26-27,29-30,36-38,42-46H,5-11,13-15H2,1-4H3,(H,39,40)/b21-12?/t16?,17?,18?,19?,20?,22?,23?,24?,26?,27?,29?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:16]1[C:28](=[O:41])[CH:22]([OH:36])[CH2:13][CH:27]([O:50][CH:29]2[CH:17]([CH3:2])[O:48][CH:26]([O:49][CH:18]3[CH2:5][CH2:7][C:31]4([CH3:3])[CH:20]5[CH2:11][CH:24]([OH:38])[C:32]6([CH3:4])[C:34]([OH:45])([CH2:9][CH2:10][C:35]6([C:21](=[CH:12][C:25](=[O:39])[OH:40])[CH:30]([OH:42])[OH:43])[OH:46])[CH:19]5[CH2:6][CH2:8][C:33]4([OH:44])[CH2:15]3)[CH2:14][CH:23]2[OH:37])[O:47]1 |
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