Glycoside
...
GD098654

Name:
None

Formula:
C18H24O12N2S

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)c2cnoc2C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1oncc1S(N)(=O)=O

Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 2
HBD: 1 FractionCSP3: 0.61
AlogP: -0.66 Num_rotatable_bonds: 8
MolWt: 492.46 Num_heavy_atoms: 33
TPSA: 186.63 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
AD36444
Formula: C4H6O3N2S

Smiles:
Cc1oncc1S(N)(=O)=O
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: -0.37 Num_rotatable_bonds: 1
MolWt: 162.17 Num_heavy_atoms: 10
TPSA: 86.19 NumAromaticRings: 1

Sugarmoiety
SD00889

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O