Glycoside
...
GD036012

Name:
None

Formula:
C31H54O9N4S

Smiles:
CCCCCCCCCCCCCCCCN(Cc1cn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)nn1)S(C)(=O)=O

Aglycone:
CCCCCCCCCCCCCCCCN(CC1=C[N]N=N1)S(C)(=O)=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 13 RingCount: 2
HBD: 0 FractionCSP3: 0.84
AlogP: 4.84 Num_rotatable_bonds: 23
MolWt: 658.86 Num_heavy_atoms: 45
TPSA: 156.22 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
AD22752
Formula: C20H39O2N4S

Smiles:
CCCCCCCCCCCCCCCCN(CC1=C[N]N=N1)S(C)(=O)=O
HBA: 6 RingCount: 1
HBD: 0 FractionCSP3: 0.9
AlogP: 5.56 Num_rotatable_bonds: 18
MolWt: 399.62 Num_heavy_atoms: 27
TPSA: 76.2 NumAromaticRings: 0

Sugarmoiety
SD00105

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