Glycoside
GD119854
Name:
{3,4,5-trihydroxy-6-[4-(4-hydroxyphenoxy)phenoxy]oxan-2-yl}methyl 4-hydroxybenzoateFormula:
C25H24O10Smiles:
O=C(OCC1OC(Oc2ccc(Oc3ccc(O)cc3)cc2)C(O)C(O)C1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.Oc1ccc(Oc2ccc(O)cc2)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 7 |
| MolWt: | 484.46 | Num_heavy_atoms: | 35 |
| TPSA: | 155.14 | NumAromaticRings: | 3 |
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 |
AD48085
Formula: C12H10O3
Smiles:
Oc1ccc(Oc2ccc(O)cc2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 202.21 | Num_heavy_atoms: | 15 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
