Glycoside
GD125039
Name:
PhosmidosineFormula:
C16H24O8N7PSmiles:
COP(=O)(N=C(O)C1CCCN1)OCC1OC(n2c(O)nc3c(N)ncnc32)C(O)C1OAglycone:
COP(=O)(N=C(O)C1CCCN1)OC.Nc1ncnc2c1N=C(O)[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -0.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.38 | Num_heavy_atoms: | 32 |
| TPSA: | 219.69 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD50561
Formula: C7H15O4N2P
Smiles:
COP(=O)(N=C(O)C1CCCN1)OC| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 222.18 | Num_heavy_atoms: | 14 |
| TPSA: | 80.15 | NumAromaticRings: | 0 |
