Glycoside
GD016532
Name:
NoneFormula:
C16H22O8N8Smiles:
NC(=O)CC[C@H](NC(=O)c1nn(C2O[C@H](CO)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12)C(N)=OAglycone:
NC(=O)CCC(NC(=O)C1=N[N]c2nc(N)[nH]c(=O)c21)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -4.84 | Num_rotatable_bonds: | 8 |
| MolWt: | 454.4 | Num_heavy_atoms: | 32 |
| TPSA: | 274.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD11890
Formula: C11H13O4N8
Smiles:
NC(=O)CCC(NC(=O)C1=N[N]c2nc(N)[nH]c(=O)c21)C(N)=O| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.27 |
| AlogP: | -3.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 321.28 | Num_heavy_atoms: | 23 |
| TPSA: | 213.51 | NumAromaticRings: | 1 |
