Glycoside
...
GD004636

Name:
None

Formula:
C21H28O13N2S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NS(=O)(=O)c1ccc(CN[S](=O)=O)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 15 RingCount: 2
HBD: 3 FractionCSP3: 0.52
AlogP: -1.16 Num_rotatable_bonds: 10
MolWt: 580.59 Num_heavy_atoms: 38
TPSA: 220.76 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD00388
Formula: C7H9O4N2S2

Smiles:
NS(=O)(=O)c1ccc(CN[S](=O)=O)cc1
HBA: 6 RingCount: 1
HBD: 3 FractionCSP3: 0.14
AlogP: -0.78 Num_rotatable_bonds: 4
MolWt: 249.29 Num_heavy_atoms: 15
TPSA: 106.33 NumAromaticRings: 1

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O