Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C56H38O31
- Molecular weight
- 1206.9 g/mol
- IUPAC name
- (1R,2S,20R,42R,46R)-46-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-pentadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
- SMILES
- C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@@H]4[C@@H]5[C@@H]6[C@@H](COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
- InChIKey
- DRHVFLXLYQESEQ-YGJAGGILSA-N
- XLogP
- 3
- Polar surface area
- 545 Ų
- H-bond donors
- 20
- H-bond acceptors
- 31
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 1206.1397044359999
Show 3 more facts
- chemical formula
- C₅₆H₃₈O₃₁
- canonical SMILES
- C1C(C(OC2=C1C(=CC(=C2C3C4C5C6C(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C(=C1O)O)O)C1=C(C3=C(C(=C1O)O)O)C(=O)O4)C(=O)O5)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
- isomeric SMILES
- O=C1OC[C@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)O[C@H]([C@@H]3OC(=O)c5c-4c(O)c(O)c(O)c5[C@@H]3c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O
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