Glycoside
GD119151
Name:
2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C23H24O10Smiles:
O=c1cc(C(O)Cc2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)ccc12Aglycone:
O=c1cc(C(O)Cc2ccc(O)cc2)oc2cc(O)ccc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.44 | Num_heavy_atoms: | 33 |
| TPSA: | 170.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD47694
Formula: C17H14O5
Smiles:
O=c1cc(C(O)Cc2ccc(O)cc2)oc2cc(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
