[2-[[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] acetate
Basic information
- Standard SMILES
CC(=O)OC1C(O)C(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)OC(C)C1OC1OC(C)C(O)C(O)C1O- InChIKey
XPKGZGVHRJPRJJ-UHFFFAOYSA-N- Molecular formula
- C35H42O20
- Average molar mass
- 782.7 g/mol
- Monoisotopic mass
- 782.22694374
Names & identifiers
- Preferred name
- [2-[[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] acetate
- IUPAC
- [2-[[6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] acetate
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 310 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 10
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,370
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Compound notes
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