Glycoside
GD007032
Name:
NoneFormula:
C21H20O4Smiles:
COc1ccc(OC2C(O)COC2C=CC#Cc2ccccc2)cc1Aglycone:
C=CC#Cc1ccccc1.COc1ccc(O)cc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.24 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 336.39 | Num_heavy_atoms: | 25 |
| TPSA: | 47.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD01111
Formula: C7H8O2
Smiles:
COc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD05753
Formula: C10H8
Smiles:
C=CC#Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.17 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
