Glycoside
GD078830
Name:
NoneFormula:
C18H23O5N5Smiles:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC3=CC(=O)C[C@@H](C)C3)ncnc21Aglycone:
CC1CC(=O)C=C(Nc2ncnc3c2N=C[N]3)C1Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 389.41 | Num_heavy_atoms: | 28 |
| TPSA: | 131.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD35478
Formula: C12H12ON5
Smiles:
CC1CC(=O)C=C(Nc2ncnc3c2N=C[N]3)C1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 2 |
| MolWt: | 242.26 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 1 |
