Glycoside
GD018870
Name:
NoneFormula:
C18H19O10N5P2Smiles:
Nc1nc(C#Cc2ccccc2)nc2c1ncn2C1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)OP(=O)(O)O.Nc1nc(C#Cc2ccccc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 527.32 | Num_heavy_atoms: | 35 |
| TPSA: | 232.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD00305
Formula: CH6O7P2
Smiles:
COP(=O)(O)OP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.0 | Num_heavy_atoms: | 10 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
AD00829
Formula: C13H8N5
Smiles:
Nc1nc(C#Cc2ccccc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 0 |
| MolWt: | 234.24 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 2 |
