Glycoside
GD133158
Name:
Buddlejoside BFormula:
C22H26O12Smiles:
O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)c(O)c1Aglycone:
O=C(OCC1=CC(O)C2C=COC(O)C12)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 482.44 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD53906
Formula: C16H16O7
Smiles:
O=C(OCC1=CC(O)C2C=COC(O)C12)c1ccc(O)c(O)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 1 |
