Glycoside
GD142942
Name:
Bengamide YFormula:
C17H30O7N2Smiles:
COC(C(O)=NC1CCC(O)CN=C1O)C(O)C(O)C(O)C=CC(C)CAglycone:
C=CC(C)C.NC1CCC(O)CN=C1OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.76 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 8 |
| MolWt: | 374.43 | Num_heavy_atoms: | 26 |
| TPSA: | 155.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD00557
Formula: C5H10
Smiles:
C=CC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 70.13 | Num_heavy_atoms: | 5 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD47785
Formula: C6H12O2N2
Smiles:
NC1CCC(O)CN=C1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 78.84 | NumAromaticRings: | 0 |
