Glycoside
...
GD025739

Name:
None

Formula:
C29H28O11N4SBr2

Smiles:
CC(=O)OC[C@@H]1O[C@H](Sc2nnc(-c3ccccc3O)n2N=Cc2cc(Br)cc(Br)c2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Oc1ccccc1-c1nnc(S)n1N=Cc1cc(Br)cc(Br)c1O

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

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 2 FractionCSP3: 0.34
AlogP: 3.94 Num_rotatable_bonds: 10
MolWt: 800.44 Num_heavy_atoms: 47
TPSA: 197.96 NumAromaticRings: 3

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
AD17036
Formula: C15H10O2N4SBr2

Smiles:
Oc1ccccc1-c1nnc(S)n1N=Cc1cc(Br)cc(Br)c1O
HBA: 6 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 4.05 Num_rotatable_bonds: 3
MolWt: 470.15 Num_heavy_atoms: 24
TPSA: 83.53 NumAromaticRings: 3

Sugarmoiety
SD00012

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