Glycoside
GD032485
Name:
NoneFormula:
C13H20O11N6P2Smiles:
CCC(=O)O[C@@H]1[C@H](COP(=O)(O)NP(=O)(O)O)O[C@H](n2cnc3c(O)nc(N)nc32)[C@H]1OAglycone:
CCC(=O)O.COP(=O)(O)NP(=O)(O)O.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.54 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.28 | Num_heavy_atoms: | 32 |
| TPSA: | 261.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD04433
Formula: CH7O6NP2
Smiles:
COP(=O)(O)NP(=O)(O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 3 |
| MolWt: | 191.02 | Num_heavy_atoms: | 10 |
| TPSA: | 116.09 | NumAromaticRings: | 0 |
