Glycoside
...
GD036133

Name:
None

Formula:
C15H18O7S

Smiles:
CC(=O)OC[C@@H]1O[C@H](c2cccs2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.c1ccsc1

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

Other Identifiers

Properties
HBA: 7 RingCount: 2
HBD: 0 FractionCSP3: 0.53
AlogP: 1.61 Num_rotatable_bonds: 5
MolWt: 342.37 Num_heavy_atoms: 23
TPSA: 88.13 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
AD07140
Formula: C4H4S

Smiles:
c1ccsc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.0
AlogP: 1.75 Num_rotatable_bonds: 0
MolWt: 84.14 Num_heavy_atoms: 5
TPSA: 0.0 NumAromaticRings: 1

Sugarmoiety
SD00105

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