Glycoside
GD036013
Name:
NoneFormula:
C20H21O5N6FSmiles:
CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O)[C@H]1OAglycone:
CN(C=O)Cc1cnn(-c2ccc(F)cc2)c1.Nc1cc[nH]c(=O)n1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 5 |
| MolWt: | 444.42 | Num_heavy_atoms: | 32 |
| TPSA: | 148.73 | 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 |
AD17993
Formula: C12H12ON3F
Smiles:
CN(C=O)Cc1cnn(-c2ccc(F)cc2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 233.25 | Num_heavy_atoms: | 17 |
| TPSA: | 38.13 | NumAromaticRings: | 2 |
