Glycoside
...
GD035641

Name:
None

Formula:
C24H24O8S

Smiles:
COc1ccc(C#Cc2ccsc2)cc1[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.COc1ccc(C#Cc2ccsc2)cc1

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

Other Identifiers

Properties
HBA: 8 RingCount: 3
HBD: 0 FractionCSP3: 0.38
AlogP: 3.02 Num_rotatable_bonds: 6
MolWt: 472.52 Num_heavy_atoms: 33
TPSA: 97.36 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
AD22223
Formula: C13H10OS

Smiles:
COc1ccc(C#Cc2ccsc2)cc1
HBA: 1 RingCount: 2
HBD: 0 FractionCSP3: 0.08
AlogP: 3.16 Num_rotatable_bonds: 1
MolWt: 214.29 Num_heavy_atoms: 15
TPSA: 9.23 NumAromaticRings: 2

Sugarmoiety
SD00105

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