Glycoside
...
GD099725

Name:
None

Formula:
C16H17O8N4Br

Smiles:
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(Br)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]c(Br)nc2c1N=C[N]2

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

Other Identifiers

Properties
HBA: 12 RingCount: 3
HBD: 1 FractionCSP3: 0.5
AlogP: 0.21 Num_rotatable_bonds: 5
MolWt: 473.24 Num_heavy_atoms: 29
TPSA: 151.7 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
AD11609
Formula: C5H2ON4Br

Smiles:
O=c1[nH]c(Br)nc2c1N=C[N]2
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.0
AlogP: 0.44 Num_rotatable_bonds: 0
MolWt: 214.0 Num_heavy_atoms: 11
TPSA: 72.21 NumAromaticRings: 1

Sugarmoiety
SD00105

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