Glycoside
GD131477
Name:
5-(3',4',5'-Trihydroxyphenyl)-Gamma-Valerolactone-O-Methyl-5'-O-GlucuronideFormula:
C18H22O11Smiles:
COc1cc(CC2CCC(=O)O2)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1OAglycone:
COc1cc(CC2CCC(=O)O2)cc(O)c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.36 | Num_heavy_atoms: | 29 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD53266
Formula: C12H14O5
Smiles:
COc1cc(CC2CCC(=O)O2)cc(O)c1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.24 | Num_heavy_atoms: | 17 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
