| Properties | Image |
|---|
| MNX_ID | MNXM1175251 |
 |
| reference | envipathM:...792e14d2aa8c |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | ZECQVMBGYMSYCN-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-17-35(50)25(44)13-31(54-17)58-36-18(2)55-32(14-26(36)45)59-37-27(46)15-33(57-28(37)16-42)56-20-5-7-39(3)19(9-20)10-24(43)34-23(39)12-29(47)40(4)22(6-8-41(34,40)53)21(38(51)52)11-30(48)49/h11,17-20,22-28,31-38,42-46,50-53H,5-10,12-16H2,1-4H3,(H,48,49)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(=O)C5(C)C(C(=CC(=O)[O-])C(O)O)CCC45O)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-35(50)25(44)13-31(54-17)58-36-18(2)55-32(14-26(36)45)59-37-27(46)15-33(57-28(37)16-42)56-20-5-7-39(3)19(9-20)10-24(43)34-23(39)12-29(47)40(4)22(6-8-41(34,40)53)21(38(51)52)11-30(48)49/h11,17-20,22-28,31-38,42-46,50-53H,5-10,12-16H2,1-4H3,(H,48,49)/b21-11?/t17?,18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:50])[CH:25]([OH:44])[CH2:13][CH:31]([O:58][CH:36]2[CH:18]([CH3:2])[O:55][CH:32]([O:59][CH:37]3[CH:27]([OH:46])[CH2:15][CH:33]([O:56][CH:20]4[CH2:5][CH2:7][C:39]5([CH3:3])[CH:19]([CH2:9]4)[CH2:10][CH:24]([OH:43])[CH:34]4[CH:23]5[CH2:12][C:29](=[O:47])[C:40]5([CH3:4])[CH:22]([C:21](=[CH:11][C:30](=[O:48])[OH:49])[CH:38]([OH:51])[OH:52])[CH2:6][CH2:8][C:41]45[OH:53])[O:57][CH:28]3[CH2:16][OH:42])[CH2:14][CH:26]2[OH:45])[O:54]1 |
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