Glycoside
...
GD034070

Name:
None

Formula:
C22H26O10N2S

Smiles:
CC(=O)N[C@@H]1[C@H](Oc2cccc(C(=O)O)c2-c2cccc(NS(C)(=O)=O)c2)O[C@H](CO)[C@H](O)[C@H]1O

Aglycone:
CS(=O)(=O)Nc1cccc(-c2c(O)cccc2C(=O)O)c1

Sugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 6 FractionCSP3: 0.36
AlogP: -0.25 Num_rotatable_bonds: 8
MolWt: 510.52 Num_heavy_atoms: 35
TPSA: 191.72 NumAromaticRings: 2

Unique Aglycone
AD21701
Formula: C14H13O5NS

Smiles:
CS(=O)(=O)Nc1cccc(-c2c(O)cccc2C(=O)O)c1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.07
AlogP: 2.13 Num_rotatable_bonds: 4
MolWt: 307.33 Num_heavy_atoms: 21
TPSA: 103.7 NumAromaticRings: 2

Sugarmoiety
SD00014

CC(=O)NC1C(O)OC(CO)C(O)C1O