Glycoside
...
GD030032

Name:
None

Formula:
C20H25O9NS

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc(N)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ccc(S)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 1.44 Num_rotatable_bonds: 7
MolWt: 455.49 Num_heavy_atoms: 31
TPSA: 140.45 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
AD14447
Formula: C6H7NS

Smiles:
Nc1ccc(S)cc1
HBA: 1 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.56 Num_rotatable_bonds: 0
MolWt: 125.2 Num_heavy_atoms: 8
TPSA: 26.02 NumAromaticRings: 1

Sugarmoiety
SD00012

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