| Properties | Image |
|---|
| MNX_ID | MNXM1177612 |
 |
| reference | envipathM:...4ff02085aebc |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | ADIUOFIQPUXITK-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-19-35(50)25(44)13-33(53-19)59-37-27(18-43)56-34(16-31(49)57-37)58-36-20(2)54-32(14-26(36)45)55-23-6-8-38(3)22(12-23)5-9-40(51)28(38)15-29(46)39(4)24(7-10-41(39,40)52)21(17-42)11-30(47)48/h11,19-20,22-29,32-37,42-46,50-52H,5-10,12-18H2,1-4H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2OC(=O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C5CC(O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-19-35(50)25(44)13-33(53-19)59-37-27(18-43)56-34(16-31(49)57-37)58-36-20(2)54-32(14-26(36)45)55-23-6-8-38(3)22(12-23)5-9-40(51)28(38)15-29(46)39(4)24(7-10-41(39,40)52)21(17-42)11-30(47)48/h11,19-20,22-29,32-37,42-46,50-52H,5-10,12-18H2,1-4H3,(H,47,48)/b21-11?/t19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:35]([OH:50])[CH:25]([OH:44])[CH2:13][CH:33]([O:59][CH:37]2[CH:27]([CH2:18][OH:43])[O:56][CH:34]([O:58][CH:36]3[CH:20]([CH3:2])[O:54][CH:32]([O:55][CH:23]4[CH2:6][CH2:8][C:38]5([CH3:3])[CH:22]([CH2:5][CH2:9][C:40]6([OH:51])[CH:28]5[CH2:15][CH:29]([OH:46])[C:39]5([CH3:4])[CH:24]([C:21](=[CH:11][C:30](=[O:47])[OH:48])[CH2:17][OH:42])[CH2:7][CH2:10][C:41]56[OH:52])[CH2:12]4)[CH2:14][CH:26]3[OH:45])[CH2:16][C:31](=[O:49])[O:57]2)[O:53]1 |
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