Glycoside
GD070555
Name:
NoneFormula:
C17H27O6N3Smiles:
CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1OAglycone:
CCCCCCCC(=O)OC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 9 |
| MolWt: | 369.42 | Num_heavy_atoms: | 26 |
| 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 |
AD01605
Formula: C9H18O2
Smiles:
CCCCCCCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.89 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 158.24 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
