Glycoside
GD114502
Name:
1-phenyl-3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-oneFormula:
C21H22O7Smiles:
O=C(C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)c1ccccc1Aglycone:
O=C(C=Cc1ccc(O)cc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.4 | Num_heavy_atoms: | 28 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD45093
Formula: C15H12O2
Smiles:
O=C(C=Cc1ccc(O)cc1)c1ccccc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.26 | Num_heavy_atoms: | 17 |
| TPSA: | 37.3 | NumAromaticRings: | 2 |
