Glycoside
GD029770
Name:
NoneFormula:
C25H30O3Smiles:
Cc1cc(C)cc(C=CC2OCC(O)C2Oc2ccc(C3CCCC3)cc2)c1Aglycone:
C=Cc1cc(C)cc(C)c1.Oc1ccc(C2CCCC2)cc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 3 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 5.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 378.51 | Num_heavy_atoms: | 28 |
| TPSA: | 38.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD19327
Formula: C10H12
Smiles:
C=Cc1cc(C)cc(C)c1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.21 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD19328
Formula: C11H14O
Smiles:
Oc1ccc(C2CCCC2)cc1| HBA: | 1 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.23 | Num_heavy_atoms: | 12 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
