Glycoside
GD033073
Name:
BENGAMIDE IFormula:
C32H58O8N2Smiles:
CCCCCCCCCCCCCCC(=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)NC1Aglycone:
C=CC(C)C.CCCCCCCCCCCCCCC(=O)OC1CCC(N)C(=O)NC1Sugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.84 |
| AlogP: | 3.69 | Num_rotatable_bonds: | 22 |
| MolWt: | 598.82 | Num_heavy_atoms: | 42 |
| TPSA: | 154.42 | 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 |
AD21137
Formula: C21H40O3N2
Smiles:
CCCCCCCCCCCCCCC(=O)OC1CCC(N)C(=O)NC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 14 |
| MolWt: | 368.56 | Num_heavy_atoms: | 26 |
| TPSA: | 81.42 | NumAromaticRings: | 0 |
