Glycoside
GD123022
Name:
[3,4,5-trihydroxy-6-(4-hydroxy-2,5-dimethylphenoxy)oxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoateFormula:
C23H28O11Smiles:
COc1cc(C(=O)OCC2OC(Oc3cc(C)c(O)cc3C)C(O)C(O)C2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.Cc1cc(O)c(C)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.47 | Num_heavy_atoms: | 34 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | 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 |
