Glycoside
...
GD011874

Name:
None

Formula:
C24H39O10NS

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

Aglycone:
CCCCCCCCNC(=O)CS.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 1
HBD: 1 FractionCSP3: 0.79
AlogP: 2.28 Num_rotatable_bonds: 15
MolWt: 533.64 Num_heavy_atoms: 36
TPSA: 143.53 NumAromaticRings: 0

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
AD00911
Formula: C10H21ONS

Smiles:
CCCCCCCCNC(=O)CS
HBA: 2 RingCount: 0
HBD: 1 FractionCSP3: 0.9
AlogP: 2.39 Num_rotatable_bonds: 8
MolWt: 203.35 Num_heavy_atoms: 13
TPSA: 29.1 NumAromaticRings: 0

Sugarmoiety
SD00012

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