| Properties | Image |
|---|
| MNX_ID | MNXM1183114 |
 |
| reference | envipathM:...d0ce614a120b |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | DJFYOBUOKSTNJK-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-19-35(48)26(43)13-32(52-19)56-36-20(2)53-33(14-27(36)44)57-37-28(45)15-34(55-29(37)17-42)54-22-5-8-38(3)25-12-30(46)39(4)23(21-11-31(47)51-18-21)7-10-41(39,50)24(25)6-9-40(38,49)16-22/h11,19-20,22-29,32-37,42-45,48-50H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(=O)C7(C)C(C8=CC(=O)OC8)CCC7(O)C6CCC5(O)C4)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-19-35(48)26(43)13-32(52-19)56-36-20(2)53-33(14-27(36)44)57-37-28(45)15-34(55-29(37)17-42)54-22-5-8-38(3)25-12-30(46)39(4)23(21-11-31(47)51-18-21)7-10-41(39,50)24(25)6-9-40(38,49)16-22/h11,19-20,22-29,32-37,42-45,48-50H,5-10,12-18H2,1-4H3/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:48])[CH:26]([OH:43])[CH2:13][CH:32]([O:56][CH:36]2[CH:20]([CH3:2])[O:53][CH:33]([O:57][CH:37]3[CH:28]([OH:45])[CH2:15][CH:34]([O:54][CH:22]4[CH2:5][CH2:8][C:38]5([CH3:3])[CH:25]6[CH2:12][C:30](=[O:46])[C:39]7([CH3:4])[CH:23]([C:21]8=[CH:11][C:31](=[O:47])[O:51][CH2:18]8)[CH2:7][CH2:10][C:41]7([OH:50])[CH:24]6[CH2:6][CH2:9][C:40]5([OH:49])[CH2:16]4)[O:55][CH:29]3[CH2:17][OH:42])[CH2:14][CH:27]2[OH:44])[O:52]1 |
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