Glycoside
GD020751
Name:
NoneFormula:
C20H22O5N4SSmiles:
COc1ccccc1C=CCSc1ncnc2c1cnn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
COc1ccccc1C=CCSc1ncnc2c1C=N[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 430.49 | Num_heavy_atoms: | 30 |
| TPSA: | 122.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD14275
Formula: C15H13ON4S
Smiles:
COc1ccccc1C=CCSc1ncnc2c1C=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.13 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 5 |
| MolWt: | 297.36 | Num_heavy_atoms: | 21 |
| TPSA: | 61.47 | NumAromaticRings: | 2 |
