| Properties | Image |
|---|
| MNX_ID | MNXM1190164 |
 |
| reference | envipathM:...0ac16d59a6c7 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | ABVNWVGRTLIWAB-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-18-35(50)26(44)13-33(53-18)57-37-20(3)55-34(15-28(37)46)58-36-19(2)54-32(14-27(36)45)56-22-6-8-38(4)24(11-22)25(43)12-29-40(51)9-7-23(21(17-42)10-31(48)49)39(40,5)30(47)16-41(29,38)52/h10,18-20,22-29,32-34,36-37,42-46,51-52H,6-9,11-17H2,1-5H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5(O)CC(=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(50)26(44)13-33(53-18)57-37-20(3)55-34(15-28(37)46)58-36-19(2)54-32(14-27(36)45)56-22-6-8-38(4)24(11-22)25(43)12-29-40(51)9-7-23(21(17-42)10-31(48)49)39(40,5)30(47)16-41(29,38)52/h10,18-20,22-29,32-34,36-37,42-46,51-52H,6-9,11-17H2,1-5H3,(H,48,49)/b21-10?/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:35](=[O:50])[CH:26]([OH:44])[CH2:13][CH:33]([O:57][CH:37]2[CH:20]([CH3:3])[O:55][CH:34]([O:58][CH:36]3[CH:19]([CH3:2])[O:54][CH:32]([O:56][CH:22]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:24]([CH2:11]4)[CH:25]([OH:43])[CH2:12][CH:29]4[C:40]6([OH:51])[CH2:9][CH2:7][CH:23]([C:21](=[CH:10][C:31](=[O:48])[OH:49])[CH2:17][OH:42])[C:39]6([CH3:5])[C:30](=[O:47])[CH2:16][C:41]45[OH:52])[CH2:14][CH:27]3[OH:45])[CH2:15][CH:28]2[OH:46])[O:53]1 |
|