Glycoside
...
GD002329

Name:
None

Formula:
C23H24O10N4SBr2

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C2C(=O)Nc3c(Br)cc(Br)cc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.NC(=S)NN=C1C(=O)Nc2c(Br)cc(Br)cc21

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

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 3 FractionCSP3: 0.43
AlogP: 1.41 Num_rotatable_bonds: 7
MolWt: 708.34 Num_heavy_atoms: 40
TPSA: 179.95 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
AD02233
Formula: C9H6ON4SBr2

Smiles:
NC(=S)NN=C1C(=O)Nc2c(Br)cc(Br)cc21
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 0.0
AlogP: 1.7 Num_rotatable_bonds: 1
MolWt: 378.05 Num_heavy_atoms: 17
TPSA: 79.51 NumAromaticRings: 1

Sugarmoiety
SD00012

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