Glycoside
GD100897
Name:
NoneFormula:
C21H25O7N3SSmiles:
COc1ccc(-c2csc3nc(C)nc(N[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]4O)c23)cc1OCAglycone:
COc1ccc(-c2csc3nc(C)nc(N)c23)cc1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 463.51 | Num_heavy_atoms: | 32 |
| TPSA: | 146.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD42632
Formula: C15H15O2N3S
Smiles:
COc1ccc(-c2csc3nc(C)nc(N)c23)cc1OC| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.37 | Num_heavy_atoms: | 21 |
| TPSA: | 70.26 | NumAromaticRings: | 3 |
