Glycoside
...
GD015846

Name:
None

Formula:
C23H26O10N3I

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCc2nnn(-c3ccccc3)c2I)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
COC(C)=O.OCc1nnn(-c2ccccc2)c1I

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

Other Identifiers

Properties
HBA: 13 RingCount: 3
HBD: 0 FractionCSP3: 0.48
AlogP: 1.47 Num_rotatable_bonds: 9
MolWt: 631.38 Num_heavy_atoms: 37
TPSA: 154.37 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
AD11465
Formula: C9H8ON3I

Smiles:
OCc1nnn(-c2ccccc2)c1I
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.11
AlogP: 1.36 Num_rotatable_bonds: 2
MolWt: 301.09 Num_heavy_atoms: 14
TPSA: 50.94 NumAromaticRings: 2

Sugarmoiety
SD00012

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