Glycoside
GD119446
Name:
Hypolaetin 7-O-GlucuronideFormula:
C21H18O13Smiles:
O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2O)C(O)C(O)C1OAglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.24 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 478.36 | Num_heavy_atoms: | 34 |
| TPSA: | 227.58 | NumAromaticRings: | 3 |
Unique Aglycone
AD10014
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
