Glycoside
...
GD024753

Name:
None

Formula:
C28H31O11N2FS

Smiles:
CS(=O)(=O)NCC#CN1C(=O)[C@H](CC[C@H](O)c2ccc(F)cc2)[C@H]1c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:
CS(=O)(=O)NCC#CN1C(=O)C(CCC(O)c2ccc(F)cc2)C1c1ccc(O)cc1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.43
AlogP: -0.38 Num_rotatable_bonds: 10
MolWt: 622.62 Num_heavy_atoms: 43
TPSA: 203.16 NumAromaticRings: 2

Unique Aglycone
AD16493
Formula: C22H23O5N2FS

Smiles:
CS(=O)(=O)NCC#CN1C(=O)C(CCC(O)c2ccc(F)cc2)C1c1ccc(O)cc1
HBA: 7 RingCount: 3
HBD: 3 FractionCSP3: 0.32
AlogP: 2.05 Num_rotatable_bonds: 7
MolWt: 446.5 Num_heavy_atoms: 31
TPSA: 106.94 NumAromaticRings: 2

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O