Glycoside
GD150260
Name:
NoneFormula:
C18H23O8N6PSmiles:
N=c1nc(O)c2c([nH]1)NCC(CNc1ccc(C3OC(COP(=O)(O)O)C(O)C3O)cc1)=N2Aglycone:
COP(=O)(O)O.N=c1nc(O)c2c([nH]1)NCC(CNc1ccccc1)=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.39 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 482.39 | Num_heavy_atoms: | 33 |
| TPSA: | 225.63 | NumAromaticRings: | 2 |
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 |
AD60039
Formula: C13H14ON6
Smiles:
N=c1nc(O)c2c([nH]1)NCC(CNc1ccccc1)=N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.15 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.3 | Num_heavy_atoms: | 20 |
| TPSA: | 109.18 | NumAromaticRings: | 2 |
