Glycoside
...
GD006450

Name:
None

Formula:
C19H24O7N4S

Smiles:
CC(=O)OCCSC[C@@H]1O[C@H](n2cnc3c(C)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CSCCOC(C)=O.Cc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.58
AlogP: 1.19 Num_rotatable_bonds: 8
MolWt: 452.49 Num_heavy_atoms: 31
TPSA: 131.73 NumAromaticRings: 2

Unique Aglycone
AD00418
Formula: C6H5N4

Smiles:
Cc1ncnc2c1N=C[N]2
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.17
AlogP: 0.69 Num_rotatable_bonds: 0
MolWt: 133.13 Num_heavy_atoms: 10
TPSA: 52.24 NumAromaticRings: 1
AD01540
Formula: C5H10O2S

Smiles:
CSCCOC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.8
AlogP: 0.91 Num_rotatable_bonds: 3
MolWt: 134.2 Num_heavy_atoms: 8
TPSA: 26.3 NumAromaticRings: 0

Sugarmoiety
SD00105

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