Glycoside
GD121090
Name:
[3,4,5-trihydroxy-6-(4-hydroxy-2,5-dimethylphenoxy)oxan-2-yl]methyl 4-hydroxy-3-methoxybenzoateFormula:
C22H26O10Smiles:
COc1cc(C(=O)OCC2OC(Oc3cc(C)c(O)cc3C)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.Cc1cc(O)c(C)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | 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 |
