Glycoside
GD008896
Name:
NoneFormula:
C17H19O9N4PSmiles:
COc1ccc(-c2nc(O)c3ncn(C4O[C@H](COP(=O)(O)O)[C@H](O)[C@H]4O)c3n2)cc1Aglycone:
COP(=O)(O)O.COc1ccc(-c2nc(O)c3c(n2)[N]C=N3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 454.33 | Num_heavy_atoms: | 31 |
| TPSA: | 189.51 | 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 |
AD07045
Formula: C12H9O2N4
Smiles:
COc1ccc(-c2nc(O)c3c(n2)[N]C=N3)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 1.77 | Num_rotatable_bonds: | 2 |
| MolWt: | 241.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.7 | NumAromaticRings: | 2 |
