Glycoside
GD156116
Name:
{[2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-[(methylsulfanyl)methyl]oxolan-3-yl]oxy}phosphonic acidFormula:
C11H16O6N5PSSmiles:
CSCC1OC(n2cnc3c(N)ncnc32)C(OP(=O)(O)O)C1OAglycone:
Nc1ncnc2c1N=C[N]2.O=P(O)(O)OSugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 377.32 | Num_heavy_atoms: | 24 |
| TPSA: | 165.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD00019
Formula: H3O4P
Smiles:
O=P(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.99 | Num_heavy_atoms: | 5 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
