Glycoside
GD098882
Name:
NoneFormula:
C20H25O7N3SSmiles:
CC(C)n1cc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)cnc1=OAglycone:
CC(C)n1cc(C(=O)Nc2ccc(S)cc2)cnc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 451.5 | Num_heavy_atoms: | 31 |
| TPSA: | 154.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD42068
Formula: C14H15O2N3S
Smiles:
CC(C)n1cc(C(=O)Nc2ccc(S)cc2)cnc1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 2.37 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.36 | Num_heavy_atoms: | 20 |
| TPSA: | 63.99 | NumAromaticRings: | 2 |
