Glycoside
GD116135
Name:
4-Phenylcoumarin_5Formula:
C22H22O11Smiles:
COc1cc(OOC2OCC(CO)C(O)C2O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1Aglycone:
COc1cc(OO)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1Sugarmoiety:
OCC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 168.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD46069
Formula: C16H12O7
Smiles:
COc1cc(OO)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.27 | Num_heavy_atoms: | 23 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
