Glycoside
GD150021
Name:
{3,4,5-trihydroxy-6-[(5-methyl-2-oxo-2H-chromen-4-yl)oxy]oxan-2-yl}methyl acetateFormula:
C18H20O9Smiles:
CC(=O)OCC1OC(Oc2cc(=O)oc3cccc(C)c23)C(O)C(O)C1OAglycone:
COC(C)=O.Cc1cccc2oc(=O)cc(O)c12Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 380.35 | Num_heavy_atoms: | 27 |
| TPSA: | 135.66 | NumAromaticRings: | 2 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
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 |
