Glycoside
GD020283
Name:
NoneFormula:
C20H25O7N9SSmiles:
Cc1cn([C@@H]2C[C@H](O)[C@H](CNC(=S)N[C@@H]3OC(n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)O2)c(=O)[nH]c1=OAglycone:
Cc1cn(C2CC(O)C(CNC(N)=S)O2)c(=O)[nH]c1=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 5 |
| MolWt: | 535.54 | Num_heavy_atoms: | 37 |
| TPSA: | 227.69 | 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 |
AD14032
Formula: C11H16O4N4S
Smiles:
Cc1cn(C2CC(O)C(CNC(N)=S)O2)c(=O)[nH]c1=O| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.34 | Num_heavy_atoms: | 20 |
| TPSA: | 122.37 | NumAromaticRings: | 1 |
