| Properties | Image |
|---|
| MNX_ID | MNXM1175542 |
 |
| reference | envipathM:...e58b15493a53 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | XKRSHKXAGXVSEU-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-35(49)28(44)14-32(53-18)57-36-19(2)54-33(15-29(36)45)58-37-20(3)55-34(17-52-38(37)50)56-22-6-8-39(4)24-13-30(46)40(5)23(21(16-42)10-31(47)48)7-9-41(40,51)25(24)12-27(43)26(39)11-22/h10,18-20,22-30,32-34,36-37,42-46,51H,6-9,11-17H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)OCC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-35(49)28(44)14-32(53-18)57-36-19(2)54-33(15-29(36)45)58-37-20(3)55-34(17-52-38(37)50)56-22-6-8-39(4)24-13-30(46)40(5)23(21(16-42)10-31(47)48)7-9-41(40,51)25(24)12-27(43)26(39)11-22/h10,18-20,22-30,32-34,36-37,42-46,51H,6-9,11-17H2,1-5H3,(H,47,48)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,36?,37?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:35](=[O:49])[CH:28]([OH:44])[CH2:14][CH:32]([O:57][CH:36]2[CH:19]([CH3:2])[O:54][CH:33]([O:58][CH:37]3[CH:20]([CH3:3])[O:55][CH:34]([O:56][CH:22]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:24]6[CH2:13][CH:30]([OH:46])[C:40]7([CH3:5])[CH:23]([C:21](=[CH:10][C:31](=[O:47])[OH:48])[CH2:16][OH:42])[CH2:7][CH2:9][C:41]7([OH:51])[CH:25]6[CH2:12][CH:27]([OH:43])[CH:26]5[CH2:11]4)[CH2:17][O:52][C:38]3=[O:50])[CH2:15][CH:29]2[OH:45])[O:53]1 |
|