Glycoside
...
GD095500

Name:
None

Formula:
C18H25O11N3S

Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)c2cnn(C)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cn1cc(S(N)(=O)=O)cn1

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: -1.22 Num_rotatable_bonds: 8
MolWt: 491.48 Num_heavy_atoms: 33
TPSA: 178.42 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
AD26176
Formula: C4H7O2N3S

Smiles:
Cn1cc(S(N)(=O)=O)cn1
HBA: 5 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: -0.93 Num_rotatable_bonds: 1
MolWt: 161.19 Num_heavy_atoms: 10
TPSA: 77.98 NumAromaticRings: 1

Sugarmoiety
SD00889

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