Glycoside
GD101303
Name:
NoneFormula:
C22H28O5N6Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)c3cccc(C(C)(C)C)c3)c(=N)nc21Aglycone:
CC(C)(C)c1cccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)c1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.55 | Num_rotatable_bonds: | 4 |
| MolWt: | 456.5 | Num_heavy_atoms: | 33 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD42865
Formula: C16H17ON6
Smiles:
CC(C)(C)c1cccc(C(=O)n2c(N)c3c(nc2=N)[N]C=N3)c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 309.35 | Num_heavy_atoms: | 23 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
