Glycoside
...
GD015847

Name:
None

Formula:
C23H27O11N4S2I

Smiles:
CC(=O)OC[C@@H]1O[C@H](SCc2nnn(-c3ccc(S(N)(=O)=O)cc3)c2I)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NS(=O)(=O)c1ccc(-n2nnc(CS)c2I)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: 0.84 Num_rotatable_bonds: 10
MolWt: 726.52 Num_heavy_atoms: 41
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
AD09644
Formula: C9H9O2N4S2I

Smiles:
NS(=O)(=O)c1ccc(-n2nnc(CS)c2I)cc1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.11
AlogP: 0.95 Num_rotatable_bonds: 3
MolWt: 396.24 Num_heavy_atoms: 18
TPSA: 90.87 NumAromaticRings: 2

Sugarmoiety
SD00012

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