Glycoside
GD036461
Name:
NoneFormula:
C13H16O4N10Smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)Cc2nnn[nH]2)[C@H](O)[C@H]1OAglycone:
CNC(=O)Cc1nnn[nH]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.34 | Num_heavy_atoms: | 27 |
| TPSA: | 202.87 | 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 |
AD22990
Formula: C4H7ON5
Smiles:
CNC(=O)Cc1nnn[nH]1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 2 |
| MolWt: | 141.13 | Num_heavy_atoms: | 10 |
| TPSA: | 83.56 | NumAromaticRings: | 1 |
