Glycoside
GD149778
Name:
1-(2,4-dihydroxy-3,5-dimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)butan-1-oneFormula:
C18H26O9Smiles:
CCCC(=O)c1c(O)c(C)c(O)c(C)c1OC1OC(CO)C(O)C(O)C1OAglycone:
CCCC(=O)c1c(O)c(C)c(O)c(C)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 6 |
| MolWt: | 386.4 | Num_heavy_atoms: | 27 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD59876
Formula: C12H16O4
Smiles:
CCCC(=O)c1c(O)c(C)c(O)c(C)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 2.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 224.26 | Num_heavy_atoms: | 16 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
