Glycoside
...
GD009962

Name:
None

Formula:
C18H21O7N4FS

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

Aglycone:
CSCCOC(C)=O.Fc1ncnc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.56
AlogP: 1.02 Num_rotatable_bonds: 8
MolWt: 456.45 Num_heavy_atoms: 31
TPSA: 131.73 NumAromaticRings: 2

Unique Aglycone
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
AD07750
Formula: C5H2N4F

Smiles:
Fc1ncnc2c1N=C[N]2
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 0.52 Num_rotatable_bonds: 0
MolWt: 137.1 Num_heavy_atoms: 10
TPSA: 52.24 NumAromaticRings: 1

Sugarmoiety
SD00105

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