| Properties | Image |
|---|
| MNX_ID | MNXM1182222 |
 |
| reference | envipathM:...1444a56d46e8 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | GODBOPRRVKSDDC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-35(58-32-14-25(45)36(18(2)54-32)59-33-12-23(43)34(49)26(16-42)56-33)24(44)13-31(53-17)55-20-9-19-5-7-40(51)27(38(19,3)28(46)10-20)15-29(47)39(4)22(6-8-41(39,40)52)21-11-30(48)57-37(21)50/h11,17-20,22-24,26-29,31-37,42-44,46-47,49-52H,5-10,12-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5(O)C4CC(O)C4(C)C(C6=CC(=O)OC6O)CCC54O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-35(58-32-14-25(45)36(18(2)54-32)59-33-12-23(43)34(49)26(16-42)56-33)24(44)13-31(53-17)55-20-9-19-5-7-40(51)27(38(19,3)28(46)10-20)15-29(47)39(4)22(6-8-41(39,40)52)21-11-30(48)57-37(21)50/h11,17-20,22-24,26-29,31-37,42-44,46-47,49-52H,5-10,12-16H2,1-4H3/t17?,18?,19?,20?,22?,23?,24?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([O:58][CH:32]2[CH2:14][C:25](=[O:45])[CH:36]([O:59][CH:33]3[CH2:12][CH:23]([OH:43])[CH:34]([OH:49])[CH:26]([CH2:16][OH:42])[O:56]3)[CH:18]([CH3:2])[O:54]2)[CH:24]([OH:44])[CH2:13][CH:31]([O:55][CH:20]2[CH2:9][CH:19]3[CH2:5][CH2:7][C:40]4([OH:51])[CH:27]([CH2:15][CH:29]([OH:47])[C:39]5([CH3:4])[CH:22]([C:21]6=[CH:11][C:30](=[O:48])[O:57][CH:37]6[OH:50])[CH2:6][CH2:8][C:41]54[OH:52])[C:38]3([CH3:3])[CH:28]([OH:46])[CH2:10]2)[O:53]1 |
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