Glycoside
GD018044
Name:
NoneFormula:
C18H25O5N7Smiles:
Nc1ccn([C@@H]2O[C@H](CNCc3cnc(N4CCOCC4)nc3)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNCc1cnc(N2CCOCC2)nc1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.44 | Num_heavy_atoms: | 30 |
| TPSA: | 160.88 | 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 |
AD12798
Formula: C10H16ON4
Smiles:
CNCc1cnc(N2CCOCC2)nc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 208.26 | Num_heavy_atoms: | 15 |
| TPSA: | 50.28 | NumAromaticRings: | 1 |
