Glycoside
...
GD021842

Name:
None

Formula:
C21H31O10N4PS2

Smiles:
CCOc1ncnc2c1ncn2C1O[C@H](COP(=O)(OCCSC(C)=O)OCCSC(C)=O)[C@H](O)[C@]1(C)O

Aglycone:
CCOc1ncnc2c1N=C[N]2.COP(=O)(OCCSC(C)=O)OCCSC(C)=O

Sugarmoiety:
CC1(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 2 FractionCSP3: 0.67
AlogP: 1.95 Num_rotatable_bonds: 14
MolWt: 594.61 Num_heavy_atoms: 38
TPSA: 181.42 NumAromaticRings: 2

Unique Aglycone
AD11617
Formula: C7H7ON4

Smiles:
CCOc1ncnc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.29
AlogP: 0.78 Num_rotatable_bonds: 2
MolWt: 163.16 Num_heavy_atoms: 12
TPSA: 61.47 NumAromaticRings: 1
AD14872
Formula: C9H17O6PS2

Smiles:
COP(=O)(OCCSC(C)=O)OCCSC(C)=O
HBA: 6 RingCount: 0
HBD: 0 FractionCSP3: 0.78
AlogP: 2.33 Num_rotatable_bonds: 9
MolWt: 316.34 Num_heavy_atoms: 18
TPSA: 78.9 NumAromaticRings: 0

Sugarmoiety
SD00027

CC1(O)C(O)OC(O)C1O