Glycoside
GD013094
Name:
NoneFormula:
C16H17O5N7Smiles:
Nc1ccn([C@@H]2O[C@H](CNC(=O)c3ccnc4nc[nH]c34)[C@H](O)[C@H]2O)c(=O)n1Aglycone:
CNC(=O)c1ccnc2nc[nH]c12.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 4 |
| MolWt: | 387.36 | Num_heavy_atoms: | 28 |
| TPSA: | 181.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00115
Formula: C4H5ON3
Smiles:
Nc1cc[nH]c(=O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 71.77 | NumAromaticRings: | 1 |
AD09819
Formula: C8H8ON4
Smiles:
CNC(=O)c1ccnc2nc[nH]c12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.18 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
