Glycoside
...
GD103950

Name:
None

Formula:
C20H26O9N2S

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nc(C)cc(C)n2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1cc(C)nc(S)n1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 0 FractionCSP3: 0.6
AlogP: 1.27 Num_rotatable_bonds: 7
MolWt: 470.5 Num_heavy_atoms: 32
TPSA: 140.21 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
AD43948
Formula: C6H8N2S

Smiles:
Cc1cc(C)nc(S)n1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.33
AlogP: 1.38 Num_rotatable_bonds: 0
MolWt: 140.21 Num_heavy_atoms: 9
TPSA: 25.78 NumAromaticRings: 1

Sugarmoiety
SD00012

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