| Properties | Image |
|---|
| MNX_ID | MNXM1171863 |
 |
| reference | envipathM:...1c6fc4340d1f |
| formula | C41H63O18 |
| global charge | -1 |
| mol weight | 843.937 |
| InChIKey | HGQJFQJOXBYHMS-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O18/c1-18-35(51)25(44)12-33(54-18)59-37-27(46)14-34(57-28(37)17-43)58-36-19(2)55-32(13-26(36)45)56-21-5-7-38(3)23-10-29(47)39(4)22(20(16-42)9-31(49)50)6-8-40(39,52)24(23)11-30(48)41(38,53)15-21/h9,16,18-19,21-30,32-37,43-48,51-53H,5-8,10-15,17H2,1-4H3,(H,49,50)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C(C=O)=CC(=O)[O-])CCC7(O)C6CC(O)C5(O)C4)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-35(51)25(44)12-33(54-18)59-37-27(46)14-34(57-28(37)17-43)58-36-19(2)55-32(13-26(36)45)56-21-5-7-38(3)23-10-29(47)39(4)22(20(16-42)9-31(49)50)6-8-40(39,52)24(23)11-30(48)41(38,53)15-21/h9,16,18-19,21-30,32-37,43-48,51-53H,5-8,10-15,17H2,1-4H3,(H,49,50)/b20-9?/t18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:51])[CH:25]([OH:44])[CH2:12][CH:33]([O:59][CH:37]2[CH:27]([OH:46])[CH2:14][CH:34]([O:58][CH:36]3[CH:19]([CH3:2])[O:55][CH:32]([O:56][CH:21]4[CH2:5][CH2:7][C:38]5([CH3:3])[CH:23]6[CH2:10][CH:29]([OH:47])[C:39]7([CH3:4])[CH:22]([C:20](=[CH:9][C:31](=[O:49])[OH:50])[CH:16]=[O:42])[CH2:6][CH2:8][C:40]7([OH:52])[CH:24]6[CH2:11][CH:30]([OH:48])[C:41]5([OH:53])[CH2:15]4)[CH2:13][CH:26]3[OH:45])[O:57][CH:28]2[CH2:17][OH:43])[O:54]1 |
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