Glycoside
...
GD018775

Name:
None

Formula:
C17H17O9N2I

Smiles:
CC(=O)OC[C@@H]1O[C@H](n2cc(C#CI)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.O=c1[nH]cc(C#CI)c(=O)[nH]1

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

Other Identifiers

Properties
HBA: 11 RingCount: 2
HBD: 1 FractionCSP3: 0.47
AlogP: -0.4 Num_rotatable_bonds: 5
MolWt: 520.23 Num_heavy_atoms: 29
TPSA: 142.99 NumAromaticRings: 1

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
AD13181
Formula: C6H3O2N2I

Smiles:
O=c1[nH]cc(C#CI)c(=O)[nH]1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: -0.19 Num_rotatable_bonds: 0
MolWt: 262.01 Num_heavy_atoms: 11
TPSA: 65.72 NumAromaticRings: 1

Sugarmoiety
SD00105

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