Glycoside
GD121423
Name:
2,6-dihydroxy-3-[(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl]benzoic acidFormula:
C20H22O11Smiles:
O=C(O)c1c(O)ccc(Cc2cc(O)ccc2OC2OC(CO)C(O)C(O)C2O)c1OAglycone:
O=C(O)c1c(O)ccc(Cc2cc(O)ccc2O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.35 |
| AlogP: | -0.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.39 | Num_heavy_atoms: | 31 |
| TPSA: | 197.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD48876
Formula: C14H12O6
Smiles:
O=C(O)c1c(O)ccc(Cc2cc(O)ccc2O)c1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 276.24 | Num_heavy_atoms: | 20 |
| TPSA: | 118.22 | NumAromaticRings: | 2 |
