Glycoside
GD021563
Name:
NoneFormula:
C26H26O5N4SSmiles:
OC[C@@H]1OC(n2ncc3c(SCC=Cc4ccc(OCc5ccccc5)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C(=Cc1ccc(OCc2ccccc2)cc1)CSc1ncnc2c1C=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.27 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.58 | Num_heavy_atoms: | 36 |
| TPSA: | 122.75 | NumAromaticRings: | 4 |
Unique Aglycone
AD14730
Formula: C21H17ON4S
Smiles:
C(=Cc1ccc(OCc2ccccc2)cc1)CSc1ncnc2c1C=N[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 7 |
| MolWt: | 373.46 | Num_heavy_atoms: | 27 |
| TPSA: | 61.47 | NumAromaticRings: | 3 |
