Glycoside
GD037582
Name:
NoneFormula:
C12H17O7N5Smiles:
Nc1nc(OCCO)c2[nH]c(=O)n([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1Aglycone:
Nc1nc(OCCO)c2[nH]c(=O)[nH]c2n1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | -3.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 343.3 | Num_heavy_atoms: | 24 |
| TPSA: | 188.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD23656
Formula: C7H9O3N5
Smiles:
Nc1nc(OCCO)c2[nH]c(=O)[nH]c2n1| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.4 | Num_rotatable_bonds: | 3 |
| MolWt: | 211.18 | Num_heavy_atoms: | 15 |
| TPSA: | 129.91 | NumAromaticRings: | 2 |
