Glycoside
GD140189
Name:
2-{[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4a,8a-dihydro-4H-chromen-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl acetateFormula:
C24H26O13Smiles:
COc1cc(C2=C(OC3OC(CO)C(O)C(OC(C)=O)C3O)C(=O)C3C(O)=CC(O)=CC3O2)ccc1OAglycone:
COc1cc(C2=C(O)C(=O)C3C(O)=CC(O)=CC3O2)ccc1OSugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.42 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.46 | Num_heavy_atoms: | 37 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD56524
Formula: C16H14O7
Smiles:
COc1cc(C2=C(O)C(=O)C3C(O)=CC(O)=CC3O2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
