Glycoside
GD129721
Name:
[3,4,5-trihydroxy-6-(4-hydroxy-2,5-dimethylphenoxy)oxan-2-yl]methyl 4-hydroxybenzoateFormula:
C21H24O9Smiles:
Cc1cc(OC2OC(COC(=O)c3ccc(O)cc3)C(O)C(O)C2O)c(C)cc1OAglycone:
COC(=O)c1ccc(O)cc1.Cc1cc(O)c(C)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD48708
Formula: C8H10O2
Smiles:
Cc1cc(O)c(C)cc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
