Glycoside
GD143567
Name:
Phosmidosine CFormula:
C11H17O7N6PSmiles:
COP(N)(=O)OCC1OC(n2c(O)nc3c(N)ncnc32)C(O)C1OAglycone:
COP(N)(=O)OC.Nc1ncnc2c1N=C(O)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.55 |
| AlogP: | -1.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 376.27 | Num_heavy_atoms: | 25 |
| TPSA: | 201.09 | NumAromaticRings: | 2 |
Unique Aglycone
AD03676
Formula: C2H8O3NP
Smiles:
COP(N)(=O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 125.06 | Num_heavy_atoms: | 7 |
| TPSA: | 61.55 | NumAromaticRings: | 0 |
AD09433
Formula: C5H4ON5
Smiles:
Nc1ncnc2c1N=C(O)[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
