Glycoside
GD098675
Name:
NoneFormula:
C19H23O8N3SSmiles:
COc1cc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)nc(OC)n1Aglycone:
COc1cc(C(=O)Nc2ccc(S)cc2)nc(OC)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 453.47 | Num_heavy_atoms: | 31 |
| TPSA: | 163.49 | NumAromaticRings: | 2 |
Unique Aglycone
AD41971
Formula: C13H13O3N3S
Smiles:
COc1cc(C(=O)Nc2ccc(S)cc2)nc(OC)n1| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 4 |
| MolWt: | 291.33 | Num_heavy_atoms: | 20 |
| TPSA: | 73.34 | NumAromaticRings: | 2 |
