Glycoside
GD028541
Name:
NoneFormula:
C22H36O5N8Smiles:
CCCCN1CC(CN(CC[C@H](N)C(=O)O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)C1Aglycone:
CCCCN1CC(CN(C)CCC(N)C(=O)O)C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.73 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 12 |
| MolWt: | 492.58 | Num_heavy_atoms: | 35 |
| TPSA: | 189.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18635
Formula: C13H27O2N3
Smiles:
CCCCN1CC(CN(C)CCC(N)C(=O)O)C1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 9 |
| MolWt: | 257.38 | Num_heavy_atoms: | 18 |
| TPSA: | 69.8 | NumAromaticRings: | 0 |
