Glycoside
GD017032
Name:
NoneFormula:
C10H15O8N4PSmiles:
O=c1[nH]cnc2c1NCN2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.O=c1[nH]cnc2c1NCN2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.6 |
| AlogP: | -2.48 | Num_rotatable_bonds: | 4 |
| MolWt: | 350.22 | Num_heavy_atoms: | 23 |
| TPSA: | 177.47 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD12201
Formula: C5H6ON4
Smiles:
O=c1[nH]cnc2c1NCN2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 0 |
| MolWt: | 138.13 | Num_heavy_atoms: | 10 |
| TPSA: | 69.81 | NumAromaticRings: | 1 |
