Glycoside
...
GD108241

Name:
None

Formula:
C20H24O9N3SBr

Smiles:
CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccc(Br)cn2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)Nc1ccc(Br)cn1

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.5
AlogP: 1.21 Num_rotatable_bonds: 7
MolWt: 562.4 Num_heavy_atoms: 34
TPSA: 151.38 NumAromaticRings: 1

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
AD44420
Formula: C6H6N3SBr

Smiles:
NC(=S)Nc1ccc(Br)cn1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.5 Num_rotatable_bonds: 1
MolWt: 232.11 Num_heavy_atoms: 11
TPSA: 50.94 NumAromaticRings: 1

Sugarmoiety
SD00012

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