Glycoside
GD144807
Name:
B-FactorFormula:
C14H22O7N5PSmiles:
CCCCOP(=O)(O)OC1C(CO)OC(n2cnc3c(N)ncnc32)C1OAglycone:
CCCCOP(=O)(O)O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 8 |
| MolWt: | 403.33 | Num_heavy_atoms: | 27 |
| TPSA: | 175.07 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD03241
Formula: C4H11O4P
Smiles:
CCCCOP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.1 | Num_heavy_atoms: | 9 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
