Glycoside
GD141485
Name:
Bengamide EFormula:
C17H30O6N2Smiles:
COC(C(O)=NC1CCCCN=C1O)C(O)C(O)C(O)C=CC(C)CAglycone:
C=CC(C)C.NC1CCCCN=C1OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 358.44 | Num_heavy_atoms: | 25 |
| TPSA: | 135.1 | 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 |
AD45740
Formula: C6H12ON2
Smiles:
NC1CCCCN=C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.18 | Num_heavy_atoms: | 9 |
| TPSA: | 58.61 | NumAromaticRings: | 0 |
