Glycoside
GD025187
Name:
NoneFormula:
C16H20O10N6Smiles:
Nc1nc2c(c(C(=O)N[C@H](CCC(=O)O)C(=O)O)nn2C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1Aglycone:
Nc1nc2c(c(=O)[nH]1)C(C(=O)NC(CCC(=O)O)C(=O)O)=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | -3.64 | Num_rotatable_bonds: | 8 |
| MolWt: | 456.37 | Num_heavy_atoms: | 32 |
| TPSA: | 263.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD16732
Formula: C11H11O6N6
Smiles:
Nc1nc2c(c(=O)[nH]1)C(C(=O)NC(CCC(=O)O)C(=O)O)=N[N]2| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.27 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 323.25 | Num_heavy_atoms: | 23 |
| TPSA: | 201.93 | NumAromaticRings: | 1 |
