Glycoside
GD014839
Name:
NoneFormula:
C17H16O8N5PSmiles:
N#Cc1cccc(Oc2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1Aglycone:
COP(=O)(O)O.N#Cc1cccc(Oc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.32 | Num_heavy_atoms: | 31 |
| TPSA: | 193.07 | NumAromaticRings: | 3 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD10872
Formula: C12H6ON5
Smiles:
N#Cc1cccc(Oc2ncnc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 236.21 | Num_heavy_atoms: | 18 |
| TPSA: | 85.26 | NumAromaticRings: | 2 |
