Glycoside
GD146778
Name:
Irilone 4'-O-GlucosideFormula:
C22H20O11Smiles:
O=c1c(-c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)coc2cc3c(c(O)c12)OCO3Aglycone:
O=c1c(-c2ccc(O)cc2)coc2cc3c(c(O)c12)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.39 | Num_heavy_atoms: | 33 |
| TPSA: | 168.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD09750
Formula: C16H10O6
Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc3c(c(O)c12)OCO3| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 298.25 | Num_heavy_atoms: | 22 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
