Glycoside
GD115224
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl 4-hydroxybenzoateFormula:
C31H30O15Smiles:
COc1cc(-c2coc3cc(OC4OC(COC(=O)c5ccc(O)cc5)C(O)C(O)C4O)c(OC)c(O)c3c2=O)cc(O)c1OCAglycone:
COC(=O)c1ccc(O)cc1.COc1cc(-c2coc3cc(O)c(OC)c(O)c3c2=O)cc(O)c1OCSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 9 |
| MolWt: | 642.57 | Num_heavy_atoms: | 46 |
| TPSA: | 224.04 | NumAromaticRings: | 4 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | 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 |
