Glycoside
GD032203
Name:
NoneFormula:
C19H26O9N6P2Smiles:
CNc1nc(NCc2ccccc2)c2ncn([C@@H]3O[C@H](COP(=O)(O)CP(=O)(O)O)[C@H](O)[C@H]3O)c2n1Aglycone:
CNc1nc2c(c(NCc3ccccc3)n1)N=C[N]2.COP(=O)(O)CP(=O)(O)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 10 |
| MolWt: | 544.4 | Num_heavy_atoms: | 36 |
| TPSA: | 221.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD02310
Formula: C2H8O6P2
Smiles:
COP(=O)(O)CP(=O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 3 |
| MolWt: | 190.03 | Num_heavy_atoms: | 10 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
AD20675
Formula: C13H13N6
Smiles:
CNc1nc2c(c(NCc3ccccc3)n1)N=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 253.29 | Num_heavy_atoms: | 19 |
| TPSA: | 76.3 | NumAromaticRings: | 2 |
