Glycoside
...
GD029811

Name:
None

Formula:
C25H26O7N4S

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2ncc3c(SCC=Cc4ccccc4)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
C(=Cc1ccccc1)CSc1ncnc2c1C=N[N]2.COC(C)=O

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

Other Identifiers

Properties
HBA: 11 RingCount: 4
HBD: 0 FractionCSP3: 0.36
AlogP: 2.96 Num_rotatable_bonds: 9
MolWt: 526.57 Num_heavy_atoms: 37
TPSA: 131.73 NumAromaticRings: 3

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD05689
Formula: C14H11N4S

Smiles:
C(=Cc1ccccc1)CSc1ncnc2c1C=N[N]2
HBA: 4 RingCount: 3
HBD: 0 FractionCSP3: 0.07
AlogP: 2.87 Num_rotatable_bonds: 4
MolWt: 267.34 Num_heavy_atoms: 19
TPSA: 52.24 NumAromaticRings: 2

Sugarmoiety
SD00105

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