Glycoside
GD069038
Name:
NoneFormula:
C16H23O7NSSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)CCC(=O)c2cccs2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(CCC(=O)c1cccs1)NCCOSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 8 |
| MolWt: | 373.43 | Num_heavy_atoms: | 25 |
| TPSA: | 125.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD32720
Formula: C10H13O3NS
Smiles:
O=C(CCC(=O)c1cccs1)NCCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 6 |
| MolWt: | 227.28 | Num_heavy_atoms: | 15 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
