Glycoside
GD000884
Name:
NoneFormula:
C19H24O8N8Smiles:
CN1C(=O)C2(C(N)=O)O[C@@]1(C)CC2OC(=O)NC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(=O)OC1CC2(C)OC1(C(N)=O)C(=O)N2C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.45 | Num_heavy_atoms: | 35 |
| TPSA: | 230.27 | 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 |
AD00926
Formula: C10H15O5N3
Smiles:
CNC(=O)OC1CC2(C)OC1(C(N)=O)C(=O)N2C| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | -1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.25 | Num_heavy_atoms: | 18 |
| TPSA: | 110.96 | NumAromaticRings: | 0 |
