Glycoside
...
GD026039

Name:
None

Formula:
C37H35O11NF3SI

Smiles:
O=C(CCc1ccccc1)O[C@@H]1[C@H](Oc2ccc(I)cc2)O[C@H](COS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H](O)[C@H]1OCCOC(=O)Nc1ccccc1

Aglycone:
COS(=O)(=O)c1cccc(C(F)(F)F)c1.O=C(Nc1ccccc1)OCCO.O=C(O)CCc1ccccc1.Oc1ccc(I)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 2 FractionCSP3: 0.3
AlogP: 6.36 Num_rotatable_bonds: 15
MolWt: 885.65 Num_heavy_atoms: 54
TPSA: 155.92 NumAromaticRings: 4

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
AD02458
Formula: C8H7O3F3S

Smiles:
COS(=O)(=O)c1cccc(C(F)(F)F)c1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 2.04 Num_rotatable_bonds: 2
MolWt: 240.2 Num_heavy_atoms: 15
TPSA: 43.37 NumAromaticRings: 1
AD02548
Formula: C9H10O2

Smiles:
O=C(O)CCc1ccccc1
HBA: 2 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.7 Num_rotatable_bonds: 3
MolWt: 150.18 Num_heavy_atoms: 11
TPSA: 37.3 NumAromaticRings: 1
AD17195
Formula: C9H11O3N

Smiles:
O=C(Nc1ccccc1)OCCO
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.22
AlogP: 1.23 Num_rotatable_bonds: 3
MolWt: 181.19 Num_heavy_atoms: 13
TPSA: 58.56 NumAromaticRings: 1

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O