Glycoside
...
GD002243

Name:
None

Formula:
C31H33O10NCl2S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](SC(=S)C2=C(Nc3ccc(Cl)cc3Cl)CC(C)(C)CC2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC1(C)CC(=O)C(C(=S)S)=C(Nc2ccc(Cl)cc2Cl)C1.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 1 FractionCSP3: 0.52
AlogP: 5.19 Num_rotatable_bonds: 9
MolWt: 690.62 Num_heavy_atoms: 44
TPSA: 143.53 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
AD02161
Formula: C17H15ONCl2S2

Smiles:
CC1(C)CC(=O)C(C(=S)S)=C(Nc2ccc(Cl)cc2Cl)C1
HBA: 2 RingCount: 2
HBD: 1 FractionCSP3: 0.33
AlogP: 5.31 Num_rotatable_bonds: 3
MolWt: 360.33 Num_heavy_atoms: 21
TPSA: 29.1 NumAromaticRings: 1

Sugarmoiety
SD00012

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