Glycoside
GD000473
Name:
NoneFormula:
C25H33O6NSSmiles:
CO[C@@H]1[C@H](O)[C@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3ccccc3SC)c2)OC1(C)CAglycone:
CSc1ccccc1-c1cc(O)ccc1CCNC(C)=OSugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.48 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 475.61 | Num_heavy_atoms: | 33 |
| TPSA: | 97.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD00530
Formula: C17H19O2NS
Smiles:
CSc1ccccc1-c1cc(O)ccc1CCNC(C)=O| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 3.46 | Num_rotatable_bonds: | 5 |
| MolWt: | 301.41 | Num_heavy_atoms: | 21 |
| TPSA: | 49.33 | NumAromaticRings: | 2 |
