Glycoside
...
GD000641

Name:
None

Formula:
C16H16O7N4I2

Smiles:
CC(=O)OCC1OC(n2cnc3c(I)nc(I)nc32)C(OC(C)=O)C1OC(C)=O

Aglycone:
COC(C)=O.Ic1nc(I)c2c(n1)[N]C=N2

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

Other Identifiers

Properties
HBA: 11 RingCount: 3
HBD: 0 FractionCSP3: 0.5
AlogP: 1.36 Num_rotatable_bonds: 5
MolWt: 630.13 Num_heavy_atoms: 29
TPSA: 131.73 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
AD00696
Formula: C5HN4I2

Smiles:
Ic1nc(I)c2c(n1)[N]C=N2
HBA: 4 RingCount: 2
HBD: 0 FractionCSP3: 0.0
AlogP: 1.6 Num_rotatable_bonds: 0
MolWt: 370.9 Num_heavy_atoms: 11
TPSA: 52.24 NumAromaticRings: 1

Sugarmoiety
SD00105

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