Glycoside
GD023462
Name:
NoneFormula:
C20H28O4N6Smiles:
Nc1ccn([C@@H]2O[C@H](CNCc3ccc(N4CCNCC4)cc3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNCc1ccc(N2CCNCC2)cc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 416.48 | Num_heavy_atoms: | 30 |
| TPSA: | 137.9 | NumAromaticRings: | 2 |
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 |
AD15774
Formula: C12H19N3
Smiles:
CNCc1ccc(N2CCNCC2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 205.3 | Num_heavy_atoms: | 15 |
| TPSA: | 27.3 | NumAromaticRings: | 1 |
