Glycoside
GD122802
Name:
1-[5-hydroxy-2,4-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phenyl]butan-1-oneFormula:
C22H32O14Smiles:
CCCC(=O)c1cc(O)c(OC2OC(CO)C(O)C(O)C2O)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCC(=O)c1cc(O)c(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.68 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 520.48 | Num_heavy_atoms: | 36 |
| TPSA: | 236.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD49523
Formula: C10H12O4
Smiles:
CCCC(=O)c1cc(O)c(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
