Glycoside
GD027415
Name:
BENGAMIDE HFormula:
C31H56O8N2Smiles:
CCCCCCCCCCCCC(=O)O[C@@H]1CC[C@H](NC(=O)[C@H](OC)[C@H](O)[C@H](O)[C@H](O)C=CC(C)C)C(=O)N(C)C1Aglycone:
C=CC(C)C.CCCCCCCCCCCCC(=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: | 0.84 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 20 |
| MolWt: | 584.79 | Num_heavy_atoms: | 41 |
| TPSA: | 145.63 | 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 |
AD18020
Formula: C20H38O3N2
Smiles:
CCCCCCCCCCCCC(=O)OC1CCC(N)C(=O)N(C)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 3.79 | Num_rotatable_bonds: | 12 |
| MolWt: | 354.54 | Num_heavy_atoms: | 25 |
| TPSA: | 72.63 | NumAromaticRings: | 0 |
