Glycoside
GD132948
Name:
Chrysophanol GlucuronideFormula:
C21H18O10Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cccc(OC3OC(C(=O)O)C(O)C(O)C3O)c1C2=OAglycone:
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 430.37 | Num_heavy_atoms: | 31 |
| TPSA: | 170.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD07732
Formula: C15H10O4
Smiles:
Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 254.24 | Num_heavy_atoms: | 19 |
| TPSA: | 74.6 | NumAromaticRings: | 2 |
