Glycoside
...
GD012825

Name:
None

Formula:
C20H23O7N5S

Smiles:
CC(=O)OCCSC[C@@H]1O[C@H](n2cnc3c2ncn2ccnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
C1=Nc2c(ncn3ccnc23)[N]1.CSCCOC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.5
AlogP: 1.14 Num_rotatable_bonds: 8
MolWt: 477.5 Num_heavy_atoms: 33
TPSA: 136.14 NumAromaticRings: 3

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
AD07502
Formula: C7H4N5

Smiles:
C1=Nc2c(ncn3ccnc23)[N]1
HBA: 5 RingCount: 3
HBD: 0 FractionCSP3: 0.0
AlogP: 0.64 Num_rotatable_bonds: 0
MolWt: 158.14 Num_heavy_atoms: 12
TPSA: 56.65 NumAromaticRings: 2

Sugarmoiety
SD00105

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