Glycoside
GD005992
Name:
BENGAMIDE PFormula:
C31H56O7N2Smiles:
CCCCCCCCCCCCCC(=O)O[C@H](C=CC(C)C)[C@H](O)[C@H](O)[C@H](OC)C(=O)N[C@@H]1CCCCNC1=OAglycone:
C=CC(C)C.CCCCCCCCCCCCCC=O.NC1CCCCNC1=OSugarmoiety:
COC(C(=O)O)C(O)C(O)C(O)OOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 4.33 | Num_rotatable_bonds: | 21 |
| MolWt: | 568.8 | Num_heavy_atoms: | 40 |
| TPSA: | 134.19 | 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 |
AD03011
Formula: C14H28O
Smiles:
CCCCCCCCCCCCCC=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.93 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 12 |
| MolWt: | 212.38 | Num_heavy_atoms: | 15 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
AD03493
Formula: C6H12ON2
Smiles:
NC1CCCCNC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 128.18 | Num_heavy_atoms: | 9 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
