Glycoside
GD083736
Name:
NoneFormula:
C18H21O7N3SSmiles:
COc1cnc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)nc1Aglycone:
COc1cnc(C(=O)Nc2ccc(S)cc2)nc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.45 | Num_heavy_atoms: | 29 |
| TPSA: | 154.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD37331
Formula: C12H11O2N3S
Smiles:
COc1cnc(C(=O)Nc2ccc(S)cc2)nc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 261.31 | Num_heavy_atoms: | 18 |
| TPSA: | 64.11 | NumAromaticRings: | 2 |
