| Properties | Image |
|---|
| MNX_ID | MNXM1172472 |
 |
| reference | envipathM:...1b4e6c8c7cab |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | GNNIVZGAZVXURK-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-17-36(50)24(44)11-31(53-17)57-37-18(2)54-32(12-25(37)45)58-38-26(46)13-33(56-28(38)15-42)55-21-5-6-39(3)20(8-21)9-23(43)35-22(39)10-29(48)40(4)34(19-7-30(49)52-16-19)27(47)14-41(35,40)51/h7,17-18,20-29,31-38,42-48,50-51H,5-6,8-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C6=CC(=O)OC6)C(O)CC45O)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-17-36(50)24(44)11-31(53-17)57-37-18(2)54-32(12-25(37)45)58-38-26(46)13-33(56-28(38)15-42)55-21-5-6-39(3)20(8-21)9-23(43)35-22(39)10-29(48)40(4)34(19-7-30(49)52-16-19)27(47)14-41(35,40)51/h7,17-18,20-29,31-38,42-48,50-51H,5-6,8-16H2,1-4H3/t17?,18?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:50])[CH:24]([OH:44])[CH2:11][CH:31]([O:57][CH:37]2[CH:18]([CH3:2])[O:54][CH:32]([O:58][CH:38]3[CH:26]([OH:46])[CH2:13][CH:33]([O:55][CH:21]4[CH2:5][CH2:6][C:39]5([CH3:3])[CH:20]([CH2:8]4)[CH2:9][CH:23]([OH:43])[CH:35]4[CH:22]5[CH2:10][CH:29]([OH:48])[C:40]5([CH3:4])[CH:34]([C:19]6=[CH:7][C:30](=[O:49])[O:52][CH2:16]6)[CH:27]([OH:47])[CH2:14][C:41]45[OH:51])[O:56][CH:28]3[CH2:15][OH:42])[CH2:12][CH:25]2[OH:45])[O:53]1 |
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