Glycoside
GD150492
Name:
5-(3',4',5'-Trihydroxyphenyl)-Gamma-Valerolactone-3'-O-GlucuronideFormula:
C17H20O11Smiles:
O=C1CCC(Cc2cc(O)c(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2)O1Aglycone:
O=C1CCC(Cc2cc(O)c(O)c(O)c2)O1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 5 |
| MolWt: | 400.34 | Num_heavy_atoms: | 28 |
| TPSA: | 183.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD45699
Formula: C11H12O5
Smiles:
O=C1CCC(Cc2cc(O)c(O)c(O)c2)O1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
