Glycoside
GD002404
Name:
NoneFormula:
C20H24O6N6Smiles:
Cc1cccc(OCC(O)CNC(=O)[C@@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)c1Aglycone:
Cc1cccc(OCC(O)CNC=O)c1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 444.45 | Num_heavy_atoms: | 32 |
| TPSA: | 177.87 | 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 |
AD02300
Formula: C11H15O3N
Smiles:
Cc1cccc(OCC(O)CNC=O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 209.25 | Num_heavy_atoms: | 15 |
| TPSA: | 58.56 | NumAromaticRings: | 1 |
