Glycoside
GD102889
Name:
NoneFormula:
C22H28O5N6Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)n(C(=O)C(C)(C)c3ccccc3C)c(=N)nc21Aglycone:
Cc1ccccc1C(C)(C)C(=O)n1c(N)c2c(nc1=N)[N]C=N2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.5 | Num_heavy_atoms: | 33 |
| TPSA: | 161.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD43552
Formula: C16H17ON6
Smiles:
Cc1ccccc1C(C)(C)C(=O)n1c(N)c2c(nc1=N)[N]C=N2| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 309.35 | Num_heavy_atoms: | 23 |
| TPSA: | 111.22 | NumAromaticRings: | 2 |
