| Properties | Image |
|---|
| MNX_ID | MNXM1317576 |
 |
| reference | envipathM:...d4f56db4cad4 |
| formula | C41H65O17 |
| global charge | -1 |
| mol weight | 829.954 |
| InChIKey | SAMZOFRHTXMORP-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H66O17/c1-19-34(48)27(43)15-31(53-19)57-35-20(2)54-32(16-28(35)44)58-36-21(3)55-33(18-52-37(36)49)56-24-8-9-38(4)22(12-24)6-7-25-26(38)14-29(45)39(5)40(50,10-11-41(25,39)51)23(17-42)13-30(46)47/h19-29,31-36,42-45,48,50-51H,6-18H2,1-5H3,(H,46,47)/p-1 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(O)C3(C)C(O)(C(CO)CC(=O)[O-])CCC43O)C2)COC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-19-34(48)27(43)15-31(53-19)57-35-20(2)54-32(16-28(35)44)58-36-21(3)55-33(18-52-37(36)49)56-24-8-9-38(4)22(12-24)6-7-25-26(38)14-29(45)39(5)40(50,10-11-41(25,39)51)23(17-42)13-30(46)47/h19-29,31-36,42-45,48,50-51H,6-18H2,1-5H3,(H,46,47)/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,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:27]([OH:43])[CH2:15][CH:31]([O:57][CH:35]2[CH:20]([CH3:2])[O:54][CH:32]([O:58][CH:36]3[CH:21]([CH3:3])[O:55][CH:33]([O:56][CH:24]4[CH2:8][CH2:9][C:38]5([CH3:4])[CH:22]([CH2:6][CH2:7][CH:25]6[CH:26]5[CH2:14][CH:29]([OH:45])[C:39]5([CH3:5])[C:40]([CH:23]([CH2:13][C:30](=[O:46])[OH:47])[CH2:17][OH:42])([OH:50])[CH2:10][CH2:11][C:41]65[OH:51])[CH2:12]4)[CH2:18][O:52][C:37]3=[O:49])[CH2:16][CH:28]2[OH:44])[O:53]1 |
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