Glycoside
...
GD100796

Name:
None

Formula:
C21H25O9NS

Smiles:
C[C@@H]1O[C@@H](OCCNS(=O)(=O)c2ccc(-c3cccc(C(=O)O)c3)cc2)[C@@H](O)[C@H](O)[C@@H]1O

Aglycone:
O=C(O)c1cccc(-c2ccc(S(=O)(=O)NCCO)cc2)c1

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.38
AlogP: 0.17 Num_rotatable_bonds: 8
MolWt: 467.5 Num_heavy_atoms: 32
TPSA: 162.62 NumAromaticRings: 2

Unique Aglycone
AD42578
Formula: C15H15O5NS

Smiles:
O=C(O)c1cccc(-c2ccc(S(=O)(=O)NCCO)cc2)c1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.13
AlogP: 1.32 Num_rotatable_bonds: 6
MolWt: 321.35 Num_heavy_atoms: 22
TPSA: 103.7 NumAromaticRings: 2

Sugarmoiety
SD00076

CC1OC(O)C(O)C(O)C1O