Glycoside
GD126659
Name:
{3,4,5-trihydroxy-6-[(7-hydroxy-2-oxo-2H-chromen-8-yl)oxy]oxan-2-yl}methyl acetateFormula:
C17H18O10Smiles:
CC(=O)OCC1OC(Oc2c(O)ccc3ccc(=O)oc23)C(O)C(O)C1OAglycone:
COC(C)=O.O=c1ccc2ccc(O)c(O)c2o1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 4 |
| MolWt: | 382.32 | Num_heavy_atoms: | 27 |
| TPSA: | 155.89 | 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 |
AD10122
Formula: C9H6O4
Smiles:
O=c1ccc2ccc(O)c(O)c2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
