| Properties | Image |
|---|
| MNX_ID | MNXM1193288 |
 |
| reference | envipathM:...cbe815967b7d |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | LZCQSVRHDFOTMN-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-19-36(51)26(45)13-33(53-19)57-37-28(47)15-35(56-30(37)18-44)58-38-27(46)14-34(55-29(38)17-43)54-22-6-8-39(2)21(11-22)4-5-24-25(39)12-31(48)40(3)23(7-9-41(24,40)52)20(16-42)10-32(49)50/h10,18-19,21-25,27-31,33-38,42-43,46-48,51-52H,4-9,11-17H2,1-3H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3CO)OC2C=O)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-36(51)26(45)13-33(53-19)57-37-28(47)15-35(56-30(37)18-44)58-38-27(46)14-34(55-29(38)17-43)54-22-6-8-39(2)21(11-22)4-5-24-25(39)12-31(48)40(3)23(7-9-41(24,40)52)20(16-42)10-32(49)50/h10,18-19,21-25,27-31,33-38,42-43,46-48,51-52H,4-9,11-17H2,1-3H3,(H,49,50)/b20-10?/t19?,21?,22?,23?,24?,25?,27?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([OH:51])[C:26](=[O:45])[CH2:13][CH:33]([O:57][CH:37]2[CH:28]([OH:47])[CH2:15][CH:35]([O:58][CH:38]3[CH:27]([OH:46])[CH2:14][CH:34]([O:54][CH:22]4[CH2:6][CH2:8][C:39]5([CH3:2])[CH:21]([CH2:4][CH2:5][CH:24]6[CH:25]5[CH2:12][CH:31]([OH:48])[C:40]5([CH3:3])[CH:23]([C:20](=[CH:10][C:32](=[O:49])[OH:50])[CH2:16][OH:42])[CH2:7][CH2:9][C:41]65[OH:52])[CH2:11]4)[O:55][CH:29]3[CH2:17][OH:43])[O:56][CH:30]2[CH:18]=[O:44])[O:53]1 |
|