Glycoside
GD022243
Name:
NoneFormula:
C19H19O3BrSmiles:
OC1COC(C=Cc2ccccc2)C1OCc1cccc(Br)c1Aglycone:
C=Cc1ccccc1.OCc1cccc(Br)c1Sugarmoiety:
OC1COC(O)C1OOther Identifiers
Properties
| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.26 | Num_heavy_atoms: | 23 |
| TPSA: | 38.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD03818
Formula: C8H8
Smiles:
C=Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 104.15 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD15101
Formula: C7H7OBr
Smiles:
OCc1cccc(Br)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 187.04 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
