Glycoside
GD076688
Name:
NoneFormula:
C13H22O7N5PSmiles:
CCCO[PH](O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCCO[PH](O)(O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -1.13 | Num_rotatable_bonds: | 7 |
| MolWt: | 391.32 | Num_heavy_atoms: | 26 |
| TPSA: | 178.23 | 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 |
AD35301
Formula: C4H13O4P
Smiles:
CCCO[PH](O)(O)OC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 156.12 | Num_heavy_atoms: | 9 |
| TPSA: | 58.92 | NumAromaticRings: | 0 |
