Glycoside
GD152942
Name:
NoneFormula:
C21H29O15N6P2Smiles:
[NH3+]C(=O)C1=CC=CN(C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(O)ncnc54)C(O)C3O)C(O)C2O)C1Aglycone:
COP(=O)(O)OP(=O)(O)OC.Oc1ncnc2c1N=C[N]2.[NH3+]C(=O)C1=CC=CNC1Sugarmoiety:
OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 10 | FractionCSP3: | 0.52 |
| AlogP: | -3.63 | Num_rotatable_bonds: | 11 |
| MolWt: | 667.44 | Num_heavy_atoms: | 44 |
| TPSA: | 313.45 | NumAromaticRings: | 2 |
Unique Aglycone
AD00050
Formula: C2H8O7P2
Smiles:
COP(=O)(O)OP(=O)(O)OC| HBA: | 7 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 206.03 | Num_heavy_atoms: | 11 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
AD00956
Formula: C5H3ON4
Smiles:
Oc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
AD48935
Formula: C6H9ON2
Smiles:
[NH3+]C(=O)C1=CC=CNC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.17 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.15 | Num_heavy_atoms: | 9 |
| TPSA: | 56.74 | NumAromaticRings: | 0 |
