Glycoside
GD035913
Name:
NoneFormula:
C18H19O9N4PSmiles:
COC(=O)c1cccc(-c2ncnc3c2ncn3[C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1Aglycone:
COC(=O)c1cccc(-c2ncnc3c2N=C[N]3)c1.COP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.34 | Num_heavy_atoms: | 32 |
| TPSA: | 186.35 | 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 |
AD22694
Formula: C13H9O2N4
Smiles:
COC(=O)c1cccc(-c2ncnc3c2N=C[N]3)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.08 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 2 |
| MolWt: | 253.24 | Num_heavy_atoms: | 19 |
| TPSA: | 78.54 | NumAromaticRings: | 2 |
