Glycoside
GD125646
Name:
[3,4,5-trihydroxy-6-(4-hydroxy-2,3-dimethylphenoxy)oxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C23H26O9Smiles:
Cc1c(O)ccc(OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)c1CAglycone:
COC(=O)C=Cc1ccc(O)cc1.Cc1c(O)ccc(O)c1CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 446.45 | Num_heavy_atoms: | 32 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD50823
Formula: C8H10O2
Smiles:
Cc1c(O)ccc(O)c1C| 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 |
