Glycoside
GD116702
Name:
1-(4-hydroxyphenyl)-7-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)heptan-3-oneFormula:
C25H32O8Smiles:
O=C(CCCCc1ccc(OC2OC(CO)C(O)C(O)C2O)cc1)CCc1ccc(O)cc1Aglycone:
O=C(CCCCc1ccc(O)cc1)CCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 11 |
| MolWt: | 460.52 | Num_heavy_atoms: | 33 |
| TPSA: | 136.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD46392
Formula: C19H22O3
Smiles:
O=C(CCCCc1ccc(O)cc1)CCc1ccc(O)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 4.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 298.38 | Num_heavy_atoms: | 22 |
| TPSA: | 57.53 | NumAromaticRings: | 2 |
