Glycoside
GD147008
Name:
Semiaquilegoside AFormula:
C26H38O9Smiles:
CC(C)c1cc2c(c(O)c1OC1OC(CO)C(O)C(O)C1O)C1(C)CCC(O)C(C)(C)C1C(=O)C2Aglycone:
CC(C)c1cc2c(c(O)c1O)C1(C)CCC(O)C(C)(C)C1C(=O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.73 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 494.58 | Num_heavy_atoms: | 35 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD58892
Formula: C20H28O4
Smiles:
CC(C)c1cc2c(c(O)c1O)C1(C)CCC(O)C(C)(C)C1C(=O)C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
