Glycoside
...
GD001645

Name:
None

Formula:
C18H24O7N6S

Smiles:
CC(=O)OCCSC[C@@H]1O[C@H](n2cnc3c(N)nc(N)nc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CSCCOC(C)=O.Nc1nc(N)c2c(n1)[N]C=N2

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 4 FractionCSP3: 0.56
AlogP: 0.05 Num_rotatable_bonds: 8
MolWt: 468.49 Num_heavy_atoms: 32
TPSA: 183.77 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
AD01628
Formula: C5H5N6

Smiles:
Nc1nc(N)c2c(n1)[N]C=N2
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: -0.45 Num_rotatable_bonds: 0
MolWt: 149.14 Num_heavy_atoms: 11
TPSA: 104.28 NumAromaticRings: 1

Sugarmoiety
SD00105

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