Glycoside
GD124254
Name:
Bengamide E'Formula:
C18H32O6N2Smiles:
CCC(C)C=CC(O)C(O)C(O)C(OC)C(O)=NC1CCCCN=C1OAglycone:
C=CC(C)CC.NC1CCCCN=C1OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 372.46 | Num_heavy_atoms: | 26 |
| TPSA: | 135.1 | NumAromaticRings: | 0 |
Unique Aglycone
AD11486
Formula: C6H12
Smiles:
C=CC(C)CC| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 84.16 | Num_heavy_atoms: | 6 |
| 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 |
