| Properties | Image |
|---|
| MNX_ID | MNXM1369472 |
 |
| reference | chebi:169352 |
| formula | C39H50O23 |
| global charge | 0 |
| mol weight | 886.806 |
| InChIKey | HRPKYCPCIPYAQZ-ZJONATAASA-N |
| InChI | InChI=1S/C39H50O23/c1-11-21(42)26(47)30(51)36(55-11)54-10-19-24(45)29(50)35(62-38-32(53)28(49)23(44)13(3)57-38)39(60-19)61-34-25(46)20-17(41)8-16(58-37-31(52)27(48)22(43)12(2)56-37)9-18(20)59-33(34)14-4-6-15(40)7-5-14/h4-9,11-13,19,21-24,26-32,35-45,47-53H,10H2,1-3H3/t11?,12?,13?,19?,21-,22-,23-,24-,26?,27?,28?,29-,30-,31-,32-,35?,36+,37-,38-,39-/m0/s1 |
| SMILES | CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O)cc(O)c4c3=O)C(O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)C(O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C39H50O23/c1-11-21(42)26(47)30(51)36(55-11)54-10-19-24(45)29(50)35(62-38-32(53)28(49)23(44)13(3)57-38)39(60-19)61-34-25(46)20-17(41)8-16(58-37-31(52)27(48)22(43)12(2)56-37)9-18(20)59-33(34)14-4-6-15(40)7-5-14/h4-9,11-13,19,21-24,26-32,35-45,47-53H,10H2,1-3H3/t11?,12?,13?,19?,21-,22-,23-,24-,26?,27?,28?,29-,30-,31-,32-,35?,36+,37-,38-,39-/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:11]1[C@H:21]([OH:42])[CH:26]([OH:47])[C@H:30]([OH:51])[C@H:36]([O:54][CH2:10][CH:19]2[C@H:24]([OH:45])[C@H:29]([OH:50])[CH:35]([O:62][C@H:38]3[C@@H:32]([OH:53])[CH:28]([OH:49])[C@@H:23]([OH:44])[CH:13]([CH3:3])[O:57]3)[C@H:39]([O:61][c:34]3[c:25](=[O:46])[c:20]4[c:17]([OH:41])[cH:8][c:16]([O:58][C@H:37]5[C@@H:31]([OH:52])[CH:27]([OH:48])[C@@H:22]([OH:43])[CH:12]([CH3:2])[O:56]5)[cH:9][c:18]4[o:59][c:33]3-[c:14]3[cH:4][cH:6][c:15]([OH:40])[cH:7][cH:5]3)[O:60]2)[O:55]1 |
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