| Properties | Image |
|---|
| MNX_ID | MNXM1178822 |
 |
| reference | envipathM:...e62c59ffa965 |
| formula | C41H63O17 |
| global charge | -1 |
| mol weight | 827.938 |
| InChIKey | ZHYPZEGXKZSODH-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H64O17/c1-19-34(48)26(43)13-32(53-19)57-36-21(3)55-33(15-28(36)45)58-35-20(2)54-31(14-27(35)44)56-23-8-10-38(4)22(12-23)6-7-24-25(38)17-52-37(49)39(5)29(9-11-41(24,39)51)40(50,18-42)16-30(46)47/h19-27,29,31-36,42-44,48,50-51H,6-18H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4COC(=O)C4(C)C(C(O)(CO)CC(=O)[O-])CCC54O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-19-34(48)26(43)13-32(53-19)57-36-21(3)55-33(15-28(36)45)58-35-20(2)54-31(14-27(35)44)56-23-8-10-38(4)22(12-23)6-7-24-25(38)17-52-37(49)39(5)29(9-11-41(24,39)51)40(50,18-42)16-30(46)47/h19-27,29,31-36,42-44,48,50-51H,6-18H2,1-5H3,(H,46,47)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,29?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:34]([OH:48])[CH:26]([OH:43])[CH2:13][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:23]4[CH2:8][CH2:10][C:38]5([CH3:4])[CH:22]([CH2:6][CH2:7][CH:24]6[CH:25]5[CH2:17][O:52][C:37](=[O:49])[C:39]5([CH3:5])[CH:29]([C:40]([CH2:16][C:30](=[O:46])[OH:47])([CH2:18][OH:42])[OH:50])[CH2:9][CH2:11][C:41]65[OH:51])[CH2:12]4)[CH2:14][CH:27]3[OH:44])[CH2:15][C:28]2=[O:45])[O:53]1 |
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