Glycoside
GD002011
Name:
NoneFormula:
C12H17O4N5Smiles:
C[C@]1(O)[C@H](O)[C@H](CO)O[C@H]1n1ccc2c(N)nc(N)nc21Aglycone:
Nc1nc(N)c2c(n1)[N]C=C2Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 295.3 | Num_heavy_atoms: | 21 |
| TPSA: | 152.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD01957
Formula: C6H6N5
Smiles:
Nc1nc(N)c2c(n1)[N]C=C2| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 91.92 | NumAromaticRings: | 1 |
