Glycoside
GD008940
Name:
NoneFormula:
C16H19O5NSSmiles:
C[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)c1cc2ccccc2s1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 337.4 | Num_heavy_atoms: | 23 |
| TPSA: | 99.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD07074
Formula: C10H9ONS
Smiles:
CNC(=O)c1cc2ccccc2s1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 2.26 | Num_rotatable_bonds: | 1 |
| MolWt: | 191.25 | Num_heavy_atoms: | 13 |
| TPSA: | 29.1 | NumAromaticRings: | 2 |
