Glycoside
...
GD108039

Name:
None

Formula:
C23H29O11NS

Smiles:
CCOC(=O)c1c(NC(=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)sc2c1CCC2

Aglycone:
CCOC(=O)c1c(N)sc2c1CCC2

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 1 FractionCSP3: 0.57
AlogP: 1.71 Num_rotatable_bonds: 11
MolWt: 527.55 Num_heavy_atoms: 36
TPSA: 160.6 NumAromaticRings: 1

Unique Aglycone
AD34056
Formula: C10H13O2NS

Smiles:
CCOC(=O)c1c(N)sc2c1CCC2
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 2.0 Num_rotatable_bonds: 2
MolWt: 211.29 Num_heavy_atoms: 14
TPSA: 52.32 NumAromaticRings: 1

Sugarmoiety
SD00250

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