Glycoside
GD129376
Name:
NoneFormula:
C16H23O17N5P2Smiles:
N=c1nc(O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OC(=O)C(O)C(O)C(O)C(O)C=O)C(O)C3O)c2[nH]1Aglycone:
COP(=O)(O)O[PH](=O)O.N=c1nc(O)c2c([nH]1)[N]C=N2Sugarmoiety:
O=CC(O)C(O)C(O)C(O)C(=O)OO.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.56 |
| AlogP: | -5.02 | Num_rotatable_bonds: | 12 |
| MolWt: | 619.33 | Num_heavy_atoms: | 40 |
| TPSA: | 357.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD02733
Formula: CH6O6P2
Smiles:
COP(=O)(O)O[PH](=O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.0 | Num_heavy_atoms: | 9 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
AD44903
Formula: C5H4ON5
Smiles:
N=c1nc(O)c2c([nH]1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.5 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 99.22 | NumAromaticRings: | 1 |
