Glycoside
GD016556
Name:
NoneFormula:
C24H26O3Smiles:
CC(C)(C)c1ccc(OC2C(O)COC2C=CC#Cc2ccccc2)cc1Aglycone:
C=CC#Cc1ccccc1.CC(C)(C)c1ccc(O)cc1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 362.47 | Num_heavy_atoms: | 27 |
| TPSA: | 38.69 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD11903
Formula: C10H14O
Smiles:
CC(C)(C)c1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.22 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
