Glycoside
GD018521
Name:
NoneFormula:
C19H29O6N3Smiles:
CCCCCCCC=CC(=O)O[C@H]1[C@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@H]1OAglycone:
CCCCCCCC=CC(=O)O.Nc1cc[nH]c(=O)n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.63 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 10 |
| MolWt: | 395.46 | Num_heavy_atoms: | 28 |
| TPSA: | 136.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD13057
Formula: C10H18O2
Smiles:
CCCCCCCC=CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 7 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
