Glycoside
...
GD019317

Name:
None

Formula:
C23H28O11N4S2

Smiles:
CC(=O)OC[C@@H]1O[C@H](SCc2cn(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NS(=O)(=O)c1ccc(-n2cc(CS)nn2)cc1

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

Other Identifiers

Properties
HBA: 15 RingCount: 3
HBD: 2 FractionCSP3: 0.48
AlogP: 0.23 Num_rotatable_bonds: 10
MolWt: 600.63 Num_heavy_atoms: 40
TPSA: 205.3 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
AD03315
Formula: C9H10O2N4S2

Smiles:
NS(=O)(=O)c1ccc(-n2cc(CS)nn2)cc1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: 0.34 Num_rotatable_bonds: 3
MolWt: 270.34 Num_heavy_atoms: 17
TPSA: 90.87 NumAromaticRings: 2

Sugarmoiety
SD00012

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