Glycoside
...
GD012126

Name:
None

Formula:
C17H21O7N5S2

Smiles:
CSc1nc(SC)c2nn([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)nc2n1

Aglycone:
COC(C)=O.CSc1nc(SC)c2c(n1)=N[N]N=2

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 0 FractionCSP3: 0.59
AlogP: 0.99 Num_rotatable_bonds: 7
MolWt: 471.52 Num_heavy_atoms: 31
TPSA: 144.62 NumAromaticRings: 2

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
AD09160
Formula: C6H6N5S2

Smiles:
CSc1nc(SC)c2c(n1)=N[N]N=2
HBA: 5 RingCount: 2
HBD: 0 FractionCSP3: 0.33
AlogP: -0.39 Num_rotatable_bonds: 2
MolWt: 212.28 Num_heavy_atoms: 13
TPSA: 64.6 NumAromaticRings: 1

Sugarmoiety
SD00105

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