Glycoside
GD127802
Name:
1-(3-benzoylphenyl)ethyl 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl carbonateFormula:
C22H24O9Smiles:
CC(OC(=O)OC1OC(CO)C(O)C(O)C1O)c1cccc(C(=O)c2ccccc2)c1Aglycone:
CC(OC(=O)O)c1cccc(C(=O)c2ccccc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.43 | Num_heavy_atoms: | 31 |
| TPSA: | 142.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD51763
Formula: C16H14O4
Smiles:
CC(OC(=O)O)c1cccc(C(=O)c2ccccc2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 3.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.28 | Num_heavy_atoms: | 20 |
| TPSA: | 63.6 | NumAromaticRings: | 2 |
