| Properties | Image |
|---|
| MNX_ID | MNXM1178015 |
 |
| reference | envipathM:...8efc2c0bed70 |
| formula | C41H61O17 |
| global charge | -1 |
| mol weight | 825.922 |
| InChIKey | AYUAPLDJZJYJSF-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O17/c1-19-34(49)25(43)14-32(53-19)57-36-21(3)55-33(16-27(36)45)58-35-20(2)54-31(15-26(35)44)56-24-7-8-37(4)22(12-24)6-9-40(51)28(37)17-29(46)38(5)39(50,10-11-41(38,40)52)23(18-42)13-30(47)48/h13,19-22,24-25,27-28,31-36,42-43,45,49-52H,6-12,14-18H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C3CC(=O)C3(C)C(O)(C(=CC(=O)[O-])CO)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-19-34(49)25(43)14-32(53-19)57-36-21(3)55-33(16-27(36)45)58-35-20(2)54-31(15-26(35)44)56-24-7-8-37(4)22(12-24)6-9-40(51)28(37)17-29(46)38(5)39(50,10-11-41(38,40)52)23(18-42)13-30(47)48/h13,19-22,24-25,27-28,31-36,42-43,45,49-52H,6-12,14-18H2,1-5H3,(H,47,48)/b23-13?/t19?,20?,21?,22?,24?,25?,27?,28?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:49])[CH:25]([OH:43])[CH2:14][CH:32]([O:57][CH:36]2[CH:21]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:20]([CH3:2])[O:54][CH:31]([O:56][CH:24]4[CH2:7][CH2:8][C:37]5([CH3:4])[CH:22]([CH2:6][CH2:9][C:40]6([OH:51])[CH:28]5[CH2:17][C:29](=[O:46])[C:38]5([CH3:5])[C:39]([C:23](=[CH:13][C:30](=[O:47])[OH:48])[CH2:18][OH:42])([OH:50])[CH2:10][CH2:11][C:41]56[OH:52])[CH2:12]4)[CH2:15][C:26]3=[O:44])[CH2:16][CH:27]2[OH:45])[O:53]1 |
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