Glycoside
GD001973
Name:
NoneFormula:
C25H28O3Smiles:
Cc1ccc(OC2C(O)COC2C=CC#Cc2ccc(C(C)(C)C)cc2)cc1Aglycone:
C=CC#Cc1ccc(C(C)(C)C)cc1.Cc1ccc(O)cc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 4.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 376.5 | Num_heavy_atoms: | 28 |
| TPSA: | 38.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD00732
Formula: C7H8O
Smiles:
Cc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD01920
Formula: C14H16
Smiles:
C=CC#Cc1ccc(C(C)(C)C)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 3.52 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.28 | Num_heavy_atoms: | 14 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
