Glycoside
GD001362
Name:
NoneFormula:
C25H45O5N3Smiles:
CCCCCCCCCCCCCCCCOC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCOC.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.84 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 18 |
| MolWt: | 467.65 | Num_heavy_atoms: | 33 |
| TPSA: | 119.83 | 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 |
AD01386
Formula: C17H36O
Smiles:
CCCCCCCCCCCCCCCCOC| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 6.11 | Num_rotatable_bonds: | 15 |
| MolWt: | 256.47 | Num_heavy_atoms: | 18 |
| TPSA: | 9.23 | NumAromaticRings: | 0 |
