Glycoside
...
GD022660

Name:
None

Formula:
C23H22O7ClI

Smiles:
C=CCO[C@@H]1[C@H](O)[C@H](Oc2ccc(I)cc2)O[C@H](COC(=O)c2ccc(Cl)cc2)[C@H]1O

Aglycone:
COC(=O)c1ccc(Cl)cc1.Oc1ccc(I)cc1

Sugarmoiety:
C=CCOC1C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 7 RingCount: 3
HBD: 2 FractionCSP3: 0.32
AlogP: 3.2 Num_rotatable_bonds: 8
MolWt: 560.77 Num_heavy_atoms: 31
TPSA: 94.45 NumAromaticRings: 2

Unique Aglycone
AD01382
Formula: C6H5OI

Smiles:
Oc1ccc(I)cc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 2.0 Num_rotatable_bonds: 0
MolWt: 220.01 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD14758
Formula: C9H7O2Cl

Smiles:
COC(=O)c1ccc(Cl)cc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.12
AlogP: 2.13 Num_rotatable_bonds: 1
MolWt: 170.59 Num_heavy_atoms: 11
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD00592

C=CCOC1C(O)C(O)OC(O)C1O