Glycoside
GD117862
Name:
(3,4,5-trihydroxy-6-{[7-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxo-4H-chromen-5-yl]oxy}oxan-2-yl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C32H32O16Smiles:
COc1cc(C(=O)OCC2OC(Oc3c(OC)c(O)cc4occ(-c5cc(O)c(OC)c(OC)c5)c(=O)c34)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 10 |
| MolWt: | 672.59 | Num_heavy_atoms: | 48 |
| TPSA: | 233.27 | NumAromaticRings: | 4 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD01705
Formula: C18H16O8
Smiles:
COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OC| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.32 | Num_heavy_atoms: | 26 |
| TPSA: | 118.59 | NumAromaticRings: | 3 |
