Glycoside
GD006935
Name:
NoneFormula:
C20H22O9N4PClSmiles:
Nc1nc2c([C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@H]3O)cn(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1Aglycone:
COP(=O)(O)O.Nc1nc2ccn(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 8 |
| MolWt: | 516.83 | Num_heavy_atoms: | 34 |
| TPSA: | 202.38 | 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 |
AD05684
Formula: C15H13O2N4Cl
Smiles:
Nc1nc2ccn(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 304.74 | Num_heavy_atoms: | 21 |
| TPSA: | 85.93 | NumAromaticRings: | 3 |
