Glycoside
GD143436
Name:
{3,4,5-trihydroxy-6-[3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propoxy]oxan-2-yl}methyl 4-hydroxy-3-methoxybenzoateFormula:
C25H28O11Smiles:
COc1cc(C(=O)OCC2OC(OCCCC3OC(=O)c4ccccc43)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.O=C1OC(CCCO)c2ccccc21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.49 | Num_heavy_atoms: | 36 |
| TPSA: | 161.21 | 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 |
AD46012
Formula: C11H12O3
Smiles:
O=C1OC(CCCO)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
