Glycoside
...
GD107820

Name:
None

Formula:
C24H31O11NS

Smiles:
COCN1c2ccccc2S[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O

Aglycone:
COCN1CSc2ccccc21

Sugarmoiety:
CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 0 FractionCSP3: 0.54
AlogP: 1.82 Num_rotatable_bonds: 12
MolWt: 541.58 Num_heavy_atoms: 37
TPSA: 143.97 NumAromaticRings: 1

Unique Aglycone
AD44353
Formula: C9H11ONS

Smiles:
COCN1CSc2ccccc21
HBA: 2 RingCount: 2
HBD: 0 FractionCSP3: 0.33
AlogP: 2.16 Num_rotatable_bonds: 2
MolWt: 181.26 Num_heavy_atoms: 12
TPSA: 12.47 NumAromaticRings: 1

Sugarmoiety
SD00291

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O