Glycoside
GD018886
Name:
BENGAMIDE LFormula:
C32H58O8N2Smiles:
CO[C@H](C(=O)N[C@@H]1CC[C@H](OC(=O)CCCCCCCCCCCC(C)C)CNC1=O)[C@H](O)[C@H](O)[C@H](O)C=CC(C)CAglycone:
C=CC(C)C.CC(C)CCCCCCCCCCCC(=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: | 3.55 | Num_rotatable_bonds: | 21 |
| 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 |
AD13241
Formula: C21H40O3N2
Smiles:
CC(C)CCCCCCCCCCCC(=O)OC1CCC(N)C(=O)NC1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 13 |
| MolWt: | 368.56 | Num_heavy_atoms: | 26 |
| TPSA: | 81.42 | NumAromaticRings: | 0 |
