Glycoside
GD157712
Name:
6-(4-{[(1-carboxy-1,3,4-trihydroxy-5-oxopentan-2-yl)oxy]carbonyl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C19H22O15Smiles:
O=CC(O)C(O)C(OC(=O)c1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1)C(O)C(=O)OAglycone:
O=Cc1ccc(O)cc1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.O=CC(O)C(O)C(OO)C(O)C(=O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.47 |
| AlogP: | -4.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 490.37 | Num_heavy_atoms: | 34 |
| TPSA: | 257.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD01669
Formula: C7H6O2
Smiles:
O=Cc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
