Glycoside
GD115705
Name:
{3,4,5-trihydroxy-6-[(2-oxo-2H-chromen-7-yl)oxy]oxan-2-yl}methyl acetateFormula:
C17H18O9Smiles:
CC(=O)OCC1OC(Oc2ccc3ccc(=O)oc3c2)C(O)C(O)C1OAglycone:
COC(C)=O.O=c1ccc2ccc(O)cc2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.32 | Num_heavy_atoms: | 26 |
| 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 |
AD07479
Formula: C9H6O3
Smiles:
O=c1ccc2ccc(O)cc2o1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.14 | Num_heavy_atoms: | 12 |
| TPSA: | 50.44 | NumAromaticRings: | 2 |
