Glycoside
...
GD104725

Name:
None

Formula:
C21H23O9NS2

Smiles:
CC(=O)OC[C@H]1O[C@@H](Sc2nc3ccccc3s2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Sc1nc2ccccc2s1

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

Other Identifiers

Properties
HBA: 10 RingCount: 3
HBD: 0 FractionCSP3: 0.48
AlogP: 2.47 Num_rotatable_bonds: 7
MolWt: 497.55 Num_heavy_atoms: 33
TPSA: 127.32 NumAromaticRings: 2

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
AD09784
Formula: C7H5NS2

Smiles:
Sc1nc2ccccc2s1
HBA: 1 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 2.58 Num_rotatable_bonds: 0
MolWt: 167.26 Num_heavy_atoms: 10
TPSA: 12.89 NumAromaticRings: 2

Sugarmoiety
SD00012

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