Glycoside
GD130502
Name:
6-({5,6-dihydroxy-2-[4-hydroxy-2-(1-hydroxy-2-phenylethenyl)phenyl]-4-oxo-4H-chromen-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C29H24O13Smiles:
O=C(O)C1OC(Oc2cc3oc(-c4ccc(O)cc4C(O)=Cc4ccccc4)cc(=O)c3c(O)c2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)cc2C(O)=Cc2ccccc2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.17 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 580.5 | Num_heavy_atoms: | 42 |
| TPSA: | 227.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD51672
Formula: C23H16O7
Smiles:
O=c1cc(-c2ccc(O)cc2C(O)=Cc2ccccc2)oc2cc(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 404.37 | Num_heavy_atoms: | 30 |
| TPSA: | 131.36 | NumAromaticRings: | 4 |
