Glycoside
GD048913
Name:
NoneFormula:
C13H16O6N4Smiles:
Cn1ncc2cc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO)cnc21Aglycone:
Cn1ncc2cc(N)cnc21Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 324.29 | Num_heavy_atoms: | 23 |
| TPSA: | 157.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD26009
Formula: C7H8N4
Smiles:
Cn1ncc2cc(N)cnc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 0 |
| MolWt: | 148.17 | Num_heavy_atoms: | 11 |
| TPSA: | 56.73 | NumAromaticRings: | 2 |
