Glycoside
GD026808
Name:
NoneFormula:
C20H27O5N7Smiles:
CCCCCCNc1c(NC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c(=O)c1=OAglycone:
CCCCCCNc1c(NC)c(=O)c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 445.48 | Num_heavy_atoms: | 32 |
| TPSA: | 177.51 | NumAromaticRings: | 3 |
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 |
AD17652
Formula: C11H18O2N2
Smiles:
CCCCCCNc1c(NC)c(=O)c1=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 210.28 | Num_heavy_atoms: | 15 |
| TPSA: | 58.2 | NumAromaticRings: | 1 |
