Glycoside
...
GD026950

Name:
None

Formula:
C16H18O8N5Br

Smiles:
CC(=O)OCC1OC(n2c(Br)nc3c(=O)[nH]c(N)nc32)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.Nc1nc2c(c(=O)[nH]1)N=C(Br)[N]2

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 3 FractionCSP3: 0.5
AlogP: -0.21 Num_rotatable_bonds: 5
MolWt: 488.25 Num_heavy_atoms: 30
TPSA: 177.72 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
AD02692
Formula: C5H3ON5Br

Smiles:
Nc1nc2c(c(=O)[nH]1)N=C(Br)[N]2
HBA: 6 RingCount: 2
HBD: 3 FractionCSP3: 0.0
AlogP: -0.02 Num_rotatable_bonds: 0
MolWt: 229.02 Num_heavy_atoms: 12
TPSA: 98.23 NumAromaticRings: 1

Sugarmoiety
SD00105

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