Glycoside
...
GD106880

Name:
None

Formula:
C26H30O11N4S

Smiles:
COc1ccc(/C=C/c2nn([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=S)n(N)c2=O)cc1

Aglycone:
COC(C)=O.COc1ccc(C=Cc2n[nH]c(=S)n(N)c2=O)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.42
AlogP: 0.92 Num_rotatable_bonds: 9
MolWt: 606.61 Num_heavy_atoms: 42
TPSA: 189.5 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
AD44237
Formula: C12H12O2N4S

Smiles:
COc1ccc(C=Cc2n[nH]c(=S)n(N)c2=O)cc1
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.08
AlogP: 1.19 Num_rotatable_bonds: 3
MolWt: 276.32 Num_heavy_atoms: 19
TPSA: 85.93 NumAromaticRings: 2

Sugarmoiety
SD00012

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