Glycoside
GD140633
Name:
5-methyl-4-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2H-chromen-2-oneFormula:
C16H18O8Smiles:
Cc1cccc2oc(=O)cc(OC3C(CO)OC(O)C(O)C3O)c12Aglycone:
Cc1cccc2oc(=O)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | -0.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.31 | Num_heavy_atoms: | 24 |
| TPSA: | 129.59 | NumAromaticRings: | 2 |
Unique Aglycone
AD29404
Formula: C10H8O3
Smiles:
Cc1cccc2oc(=O)cc(O)c12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.17 | Num_heavy_atoms: | 13 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
