Glycoside
...
GD109391

Name:
None

Formula:
C23H21O11NCl2S

Smiles:
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1cc2sc(=O)oc2c(Cl)c1Cl

Aglycone:
COC(C)=O.O=c1oc2c(Cl)c(Cl)c(O)cc2s1

Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.48
AlogP: 2.2 Num_rotatable_bonds: 7
MolWt: 566.37 Num_heavy_atoms: 36
TPSA: 156.67 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
AD40351
Formula: C9H2O3Cl2S

Smiles:
O=c1oc2c(Cl)c(Cl)c(O)cc2s1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 0
MolWt: 237.06 Num_heavy_atoms: 13
TPSA: 50.44 NumAromaticRings: 2

Sugarmoiety
SD00131

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O