Glycoside
...
GD099676

Name:
None

Formula:
C16H18O7N5Br

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2c(Br)nc3c(N)ncnc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.Nc1ncnc2c1N=C(Br)[N]2

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 2 FractionCSP3: 0.5
AlogP: 0.49 Num_rotatable_bonds: 5
MolWt: 472.25 Num_heavy_atoms: 29
TPSA: 157.75 NumAromaticRings: 2

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
AD00486
Formula: C5H3N5Br

Smiles:
Nc1ncnc2c1N=C(Br)[N]2
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.0
AlogP: 0.69 Num_rotatable_bonds: 0
MolWt: 213.02 Num_heavy_atoms: 11
TPSA: 78.26 NumAromaticRings: 1

Sugarmoiety
SD00105

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