Glycoside
...
GD110735

Name:
None

Formula:
C25H23O8N2SBr

Smiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](Sc2nc3ccc(Br)cc3c(=O)n2-c2ccccc2)[C@@H]1OC(C)=O

Aglycone:
O=c1c2cc(Br)ccc2nc(S)n1-c1ccccc1

Sugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 10 RingCount: 4
HBD: 0 FractionCSP3: 0.32
AlogP: 3.39 Num_rotatable_bonds: 6
MolWt: 591.44 Num_heavy_atoms: 37
TPSA: 123.02 NumAromaticRings: 3

Unique Aglycone
AD44665
Formula: C14H9ON2SBr

Smiles:
O=c1c2cc(Br)ccc2nc(S)n1-c1ccccc1
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.0
AlogP: 3.44 Num_rotatable_bonds: 1
MolWt: 333.21 Num_heavy_atoms: 19
TPSA: 34.89 NumAromaticRings: 3

Sugarmoiety
SD00194

CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=O