Glycoside
...
GD104699

Name:
None

Formula:
C23H30O10S

Smiles:
CC(=O)OC[C@@H]1O[C@H](SCCOc2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1ccc(OCCS)cc1

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

Other Identifiers

Properties
HBA: 10 RingCount: 2
HBD: 0 FractionCSP3: 0.57
AlogP: 2.19 Num_rotatable_bonds: 10
MolWt: 498.55 Num_heavy_atoms: 34
TPSA: 123.66 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
AD44010
Formula: C9H12OS

Smiles:
Cc1ccc(OCCS)cc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.33
AlogP: 2.3 Num_rotatable_bonds: 3
MolWt: 168.26 Num_heavy_atoms: 11
TPSA: 9.23 NumAromaticRings: 1

Sugarmoiety
SD00012

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