Glycoside
GD143430
Name:
2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyl 6-oxocyclohex-2-ene-1-carboxylateFormula:
C20H22O10Smiles:
O=C(OC(=O)C1C=CCCC1=O)c1ccccc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(OC(=O)C1C=CCCC1=O)c1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 159.82 | NumAromaticRings: | 1 |
Unique Aglycone
AD57690
Formula: C14H12O5
Smiles:
O=C(OC(=O)C1C=CCCC1=O)c1ccccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 80.67 | NumAromaticRings: | 1 |
