Glycoside
GD158257
Name:
Puerarin 4',6''-DiacetateFormula:
C25H24O11Smiles:
CC(=O)OCC1OC(c2c(O)ccc3c(=O)c(-c4ccc(OC(C)=O)cc4)coc23)C(O)C(O)C1OAglycone:
CC(=O)Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 5 |
| MolWt: | 500.46 | Num_heavy_atoms: | 36 |
| TPSA: | 172.96 | NumAromaticRings: | 3 |
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 |
AD62488
Formula: C17H12O5
Smiles:
CC(=O)Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.28 | Num_heavy_atoms: | 22 |
| TPSA: | 76.74 | NumAromaticRings: | 3 |
