Glycoside
GD008216
Name:
NoneFormula:
C20H31O5N13Smiles:
N=C(N)NCCn1cc(CN(CC[C@H](N)C(=O)O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)nn1Aglycone:
CN(CCC(N)C(=O)O)Cc1cn(CCNC(=N)N)nn1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.55 |
| AlogP: | -3.59 | Num_rotatable_bonds: | 12 |
| MolWt: | 533.55 | Num_heavy_atoms: | 38 |
| TPSA: | 278.48 | 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 |
AD06586
Formula: C11H22O2N8
Smiles:
CN(CCC(N)C(=O)O)Cc1cn(CCNC(=N)N)nn1| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 298.35 | Num_heavy_atoms: | 21 |
| TPSA: | 159.17 | NumAromaticRings: | 1 |
