Glycoside
GD140188
Name:
Pterodontoside DFormula:
C21H38O7Smiles:
CC1(O)CCCC2(C)CCC(C(C)(C)OC3OC(CO)C(O)C(O)C3O)CC12Aglycone:
CC(C)(O)C1CCC2(C)CCCC(C)(O)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.53 | Num_heavy_atoms: | 28 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD22921
Formula: C15H28O2
Smiles:
CC(C)(O)C1CCC2(C)CCCC(C)(O)C2C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.39 | Num_heavy_atoms: | 17 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
