Glycoside
GD150731
Name:
2-{3-[3-(3,4-dihydroxyphenyl)propanoyl]-2,4-dihydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}-2-oxoacetic acidFormula:
C23H24O14Smiles:
O=C(O)C(=O)c1c(OC2OC(CO)C(O)C(O)C2O)cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c1OAglycone:
O=C(O)C(=O)c1c(O)cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -1.23 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.43 | Num_heavy_atoms: | 37 |
| TPSA: | 251.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD60175
Formula: C17H14O9
Smiles:
O=C(O)C(=O)c1c(O)cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.12 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.29 | Num_heavy_atoms: | 26 |
| TPSA: | 172.59 | NumAromaticRings: | 2 |
