Glycoside
GD098828
Name:
NoneFormula:
C20H25O8N3SSmiles:
COCCn1cc(C(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)cnc1=OAglycone:
COCCn1cc(C(=O)Nc2ccc(S)cc2)cnc1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 467.5 | Num_heavy_atoms: | 32 |
| TPSA: | 163.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD42046
Formula: C14H15O3N3S
Smiles:
COCCn1cc(C(=O)Nc2ccc(S)cc2)cnc1=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 305.36 | Num_heavy_atoms: | 21 |
| TPSA: | 73.22 | NumAromaticRings: | 2 |
