Glycoside
GD114810
Name:
Bengamide GFormula:
C30H54O8N2Smiles:
CCCCCCCCCCCC(=O)OC1CCC(N=C(O)C(OC)C(O)C(O)C(O)C=CC(C)C)C(=O)N(C)C1Aglycone:
C=CC(C)C.CCCCCCCCCCCC(=O)OC1CCC(N)C(=O)N(C)C1Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 19 |
| MolWt: | 570.77 | Num_heavy_atoms: | 40 |
| TPSA: | 149.12 | 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 |
AD45299
Formula: C19H36O3N2
Smiles:
CCCCCCCCCCCC(=O)OC1CCC(N)C(=O)N(C)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.89 |
| AlogP: | 3.4 | Num_rotatable_bonds: | 11 |
| MolWt: | 340.51 | Num_heavy_atoms: | 24 |
| TPSA: | 72.63 | NumAromaticRings: | 0 |
