Glycoside
GD144616
Name:
5-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-7-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoateFormula:
C38H40O19Smiles:
COc1cc(C=CC(=O)Oc2cc3oc(-c4ccc(OC5OC(CO)C(O)C(O)C5O)cc4)cc(=O)c3c(O)c2C2OC(CO)C(O)C(O)C2O)cc(OC)c1OAglycone:
COc1cc(C=CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.37 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 11 |
| MolWt: | 800.72 | Num_heavy_atoms: | 57 |
| TPSA: | 304.96 | NumAromaticRings: | 4 |
Unique Aglycone
AD50006
Formula: C26H20O9
Smiles:
COc1cc(C=CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)cc(OC)c1O| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.08 |
| AlogP: | 4.21 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.44 | Num_heavy_atoms: | 35 |
| TPSA: | 135.66 | NumAromaticRings: | 4 |
