| Properties | Image |
|---|
| MNX_ID | MNXM1173037 |
 |
| reference | envipathM:...daf677900195 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | ZKPSIOZWUJXYAX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-34(48)25(43)13-31(52-18)57-35-19(2)53-32(14-26(35)44)58-36-27(45)15-33(55-28(36)17-42)54-20-5-8-38(3)24-12-29(46)39(4)22(21-11-30(47)56-37(21)49)7-10-41(39,51)23(24)6-9-40(38,50)16-20/h11,17-20,22-29,31-37,43-46,48-51H,5-10,12-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8=CC(=O)OC8O)CCC7(O)C6CCC5(O)C4)OC3C=O)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-34(48)25(43)13-31(52-18)57-35-19(2)53-32(14-26(35)44)58-36-27(45)15-33(55-28(36)17-42)54-20-5-8-38(3)24-12-29(46)39(4)22(21-11-30(47)56-37(21)49)7-10-41(39,51)23(24)6-9-40(38,50)16-20/h11,17-20,22-29,31-37,43-46,48-51H,5-10,12-16H2,1-4H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[CH:25]([OH:43])[CH2:13][CH:31]([O:57][CH:35]2[CH:19]([CH3:2])[O:53][CH:32]([O:58][CH:36]3[CH:27]([OH:45])[CH2:15][CH:33]([O:54][CH:20]4[CH2:5][CH2:8][C:38]5([CH3:3])[CH:24]6[CH2:12][CH:29]([OH:46])[C:39]7([CH3:4])[CH:22]([C:21]8=[CH:11][C:30](=[O:47])[O:56][CH:37]8[OH:49])[CH2:7][CH2:10][C:41]7([OH:51])[CH:23]6[CH2:6][CH2:9][C:40]5([OH:50])[CH2:16]4)[O:55][CH:28]3[CH:17]=[O:42])[CH2:14][CH:26]2[OH:44])[O:52]1 |
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