Glycoside
GD055668
Name:
NoneFormula:
C12H17O9N3Smiles:
CCOC(=O)c1nnc(CNC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)o1Aglycone:
CCOC(=O)c1nnc(CN)o1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -3.49 | Num_rotatable_bonds: | 9 |
| MolWt: | 347.28 | Num_heavy_atoms: | 24 |
| TPSA: | 192.31 | NumAromaticRings: | 1 |
Unique Aglycone
AD28113
Formula: C6H9O3N3
Smiles:
CCOC(=O)c1nnc(CN)o1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 171.16 | Num_heavy_atoms: | 12 |
| TPSA: | 91.24 | NumAromaticRings: | 1 |
