Glycoside
GD024971
Name:
NoneFormula:
C19H23O8BrSmiles:
CC(=O)OCC1OC(OCc2ccccc2)C(Br)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.OCc1ccccc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(Br)C1OC(C)=OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 459.29 | Num_heavy_atoms: | 28 |
| TPSA: | 97.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
