| Properties | Image |
|---|
| MNX_ID | MNXM1175834 |
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| reference | envipathM:...ee1771b4801e |
| formula | C35H57O15 |
| global charge | -1 |
| mol weight | 717.826 |
| InChIKey | PKQCAYYHRQAPCB-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H58O15/c1-16-27(40)20(37)12-26(47-16)50-28-17(2)48-25(13-21(28)38)49-19-7-9-31(3)18(11-19)5-6-23-34(45)10-8-22(33(44,15-36)29(41)30(42)43)32(34,4)24(39)14-35(23,31)46/h16-29,36-41,44-46H,5-15H2,1-4H3,(H,42,43)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4(O)CC(O)C4(C)C(C(O)(CO)C(O)C(=O)[O-])CCC54O)C3)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C35H58O15/c1-16-27(40)20(37)12-26(47-16)50-28-17(2)48-25(13-21(28)38)49-19-7-9-31(3)18(11-19)5-6-23-34(45)10-8-22(33(44,15-36)29(41)30(42)43)32(34,4)24(39)14-35(23,31)46/h16-29,36-41,44-46H,5-15H2,1-4H3,(H,42,43)/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:27]([OH:40])[CH:20]([OH:37])[CH2:12][CH:26]([O:50][CH:28]2[CH:17]([CH3:2])[O:48][CH:25]([O:49][CH:19]3[CH2:7][CH2:9][C:31]4([CH3:3])[CH:18]([CH2:5][CH2:6][CH:23]5[C:34]6([OH:45])[CH2:10][CH2:8][CH:22]([C:33]([CH2:15][OH:36])([CH:29]([C:30](=[O:42])[OH:43])[OH:41])[OH:44])[C:32]6([CH3:4])[CH:24]([OH:39])[CH2:14][C:35]54[OH:46])[CH2:11]3)[CH2:13][CH:21]2[OH:38])[O:47]1 |
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