Glycoside
...
GD146826

Name:
6-{[2-(1-{[(1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl)sulfanyl]methyl}cyclopropyl)acetyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C42H44O9NClS

Smiles:
CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

Aglycone:
CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.39
AlogP: 6.3 Num_rotatable_bonds: 14
MolWt: 762.32 Num_heavy_atoms: 53
TPSA: 166.64 NumAromaticRings: 4

Unique Aglycone
AD58846
Formula: C36H36O3NClS

Smiles:
CC(C)(O)c1ccccc1CCC(SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.31
AlogP: 8.95 Num_rotatable_bonds: 12
MolWt: 586.2 Num_heavy_atoms: 41
TPSA: 70.42 NumAromaticRings: 4

Sugarmoiety
SD00030

O=C(O)C1OC(O)C(O)C(O)C1O