Glycoside
...
GD028759

Name:
None

Formula:
C20H30O11N4S

Smiles:
COC(=O)C(C)(C)N(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:
COC(=O)C(C)(C)N(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: 15 RingCount: 2
HBD: 0 FractionCSP3: 0.7
AlogP: -0.68 Num_rotatable_bonds: 10
MolWt: 534.54 Num_heavy_atoms: 36
TPSA: 182.52 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
AD18754
Formula: C9H15O4N4S

Smiles:
COC(=O)C(C)(C)N(CC1=C[N]N=N1)S(C)(=O)=O
HBA: 8 RingCount: 1
HBD: 0 FractionCSP3: 0.67
AlogP: 0.03 Num_rotatable_bonds: 5
MolWt: 275.31 Num_heavy_atoms: 18
TPSA: 102.5 NumAromaticRings: 0

Sugarmoiety
SD00105

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