Glycoside
GD152284
Name:
4-(5-hydroxy-7-methoxy-4-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-2-yl)phenyl acetateFormula:
C24H24O12Smiles:
COc1cc(O)c2c(=O)c(OC3OC(CO)C(O)C(O)C3O)c(-c3ccc(OC(C)=O)cc3)oc2c1Aglycone:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC(C)=O)cc3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 504.44 | Num_heavy_atoms: | 36 |
| TPSA: | 185.35 | NumAromaticRings: | 3 |
Unique Aglycone
AD60650
Formula: C18H14O7
Smiles:
COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC(C)=O)cc3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.3 | Num_heavy_atoms: | 25 |
| TPSA: | 106.2 | NumAromaticRings: | 3 |
