Glycoside
...
GD108056

Name:
None

Formula:
C26H34O12N2S

Smiles:
CNC(=O)N1CCS[C@H]1c1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)c1

Aglycone:
CNC(=O)N1CCSC1c1ccc(O)c(OC)c1.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.58
AlogP: 1.54 Num_rotatable_bonds: 9
MolWt: 598.63 Num_heavy_atoms: 41
TPSA: 165.23 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
AD44391
Formula: C12H16O3N2S

Smiles:
CNC(=O)N1CCSC1c1ccc(O)c(OC)c1
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.42
AlogP: 1.79 Num_rotatable_bonds: 2
MolWt: 268.34 Num_heavy_atoms: 18
TPSA: 61.8 NumAromaticRings: 1

Sugarmoiety
SD00012

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