| Properties | Image |
|---|
| MNX_ID | MNXM102167 |
 |
| reference | chebi:69760 |
| formula | C38H47NO18 |
| global charge | 0 |
| mol weight | 805.783 |
| InChIKey | PBFGAFDJVQAMRS-SBTIRNPNSA-N |
| InChI | InChI=1S/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)25-29(53-21(6)43)38(37,36(30,10)48)57-35(25,9)14-50-34(47)24-12-11-13-39-26(16)24/h11-13,16-17,25,27-32,48H,14-15H2,1-10H3/t16-,17-,25+,27-,28-,29?,30-,31+,32-,35-,36-,37-,38-/m0/s1 |
| SMILES | CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3C(OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)C1=C(N=CC=C1)[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O |
MNX internals
| InChI (mnx) | InChI=1/C38H47NO18/c1-16-17(2)33(46)56-30-28(52-20(5)42)32(55-23(8)45)37(15-49-18(3)40)31(54-22(7)44)27(51-19(4)41)25-29(53-21(6)43)38(37,36(30,10)48)57-35(25,9)14-50-34(47)24-12-11-13-39-26(16)24/h11-13,16-17,25,27-32,48H,14-15H2,1-10H3/t16-,17-,25+,27-,28-,29?,30-,31+,32-,35-,36-,37-,38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]1[C@H:17]([CH3:2])[C:33](=[O:46])[O:56][C@H:30]2[C@H:28]([O:52][C:20]([CH3:5])=[O:42])[C@H:32]([O:55][C:23]([CH3:8])=[O:45])[C@:37]3([CH2:15][O:49][C:18]([CH3:3])=[O:40])[C@H:31]([O:54][C:22]([CH3:7])=[O:44])[C@@H:27]([O:51][C:19]([CH3:4])=[O:41])[C@@H:25]4[CH:29]([O:53][C:21]([CH3:6])=[O:43])[C@@:38]3([C@@:36]2([CH3:10])[OH:48])[O:57][C@@:35]4([CH3:9])[CH2:14][O:50][C:34](=[O:47])[C:24]2=[C:26]1[N:39]=[CH:13][CH:11]=[CH:12]2 |
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