Glycoside
GD139944
Name:
1,7-bis(3,4-dihydroxyphenyl)-5-[(3,4,5-trihydroxyoxan-2-yl)methoxy]heptan-3-oneFormula:
C25H32O10Smiles:
O=C(CCc1ccc(O)c(O)c1)CC(CCc1ccc(O)c(O)c1)OCC1OCC(O)C(O)C1OAglycone:
COC(CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.48 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 11 |
| MolWt: | 492.52 | Num_heavy_atoms: | 35 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD56432
Formula: C20H24O6
Smiles:
COC(CCc1ccc(O)c(O)c1)CC(=O)CCc1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
