Glycoside
GD029556
Name:
NoneFormula:
C22H28O5N8Smiles:
NC(=O)CCCN(Cc1cccc(C(N)=O)c1)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CN(CCCC(N)=O)Cc1cccc(C(N)=O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 484.52 | Num_heavy_atoms: | 35 |
| TPSA: | 208.73 | 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 |
AD19217
Formula: C13H19O2N3
Smiles:
CN(CCCC(N)=O)Cc1cccc(C(N)=O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 249.31 | Num_heavy_atoms: | 18 |
| TPSA: | 89.42 | NumAromaticRings: | 1 |
