Glycoside
GD012393
Name:
NoneFormula:
C9H14O9N3PSmiles:
Nc1c(C(=O)O)cnn1[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)[C@H]1OAglycone:
COP(=O)(O)O.NC1=C(C(=O)O)C=N[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 5 |
| MolWt: | 339.2 | Num_heavy_atoms: | 22 |
| TPSA: | 197.59 | 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 |
AD09354
Formula: C4H4O2N3
Smiles:
NC1=C(C(=O)O)C=N[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 126.09 | Num_heavy_atoms: | 9 |
| TPSA: | 89.78 | NumAromaticRings: | 0 |
