Glycoside
...
GD021945

Name:
None

Formula:
C23H28O9N3SBr

Smiles:
CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C(C)c2ccc(Br)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=NNC(N)=S)c1ccc(Br)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 12 RingCount: 2
HBD: 2 FractionCSP3: 0.48
AlogP: 1.72 Num_rotatable_bonds: 8
MolWt: 602.46 Num_heavy_atoms: 37
TPSA: 150.85 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
AD14936
Formula: C9H10N3SBr

Smiles:
CC(=NNC(N)=S)c1ccc(Br)cc1
HBA: 3 RingCount: 1
HBD: 3 FractionCSP3: 0.11
AlogP: 2.01 Num_rotatable_bonds: 2
MolWt: 272.17 Num_heavy_atoms: 14
TPSA: 50.41 NumAromaticRings: 1

Sugarmoiety
SD00012

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