Glycoside
...
GD031340

Name:
None

Formula:
C32H36O9

Smiles:
CCc1ccc([C@@H]2O[C@H](COC(=O)OC(C)c3ccccc3)[C@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)OCCO2

Aglycone:
CCc1ccccc1Cc1ccc2c(c1)OCCO2.COC(=O)OC(C)c1ccccc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 5
HBD: 3 FractionCSP3: 0.41
AlogP: 4.05 Num_rotatable_bonds: 8
MolWt: 564.63 Num_heavy_atoms: 41
TPSA: 123.91 NumAromaticRings: 3

Unique Aglycone
AD10455
Formula: C17H18O2

Smiles:
CCc1ccccc1Cc1ccc2c(c1)OCCO2
HBA: 2 RingCount: 3
HBD: 0 FractionCSP3: 0.29
AlogP: 3.61 Num_rotatable_bonds: 3
MolWt: 254.33 Num_heavy_atoms: 19
TPSA: 18.46 NumAromaticRings: 2
AD20202
Formula: C10H12O3

Smiles:
COC(=O)OC(C)c1ccccc1
HBA: 3 RingCount: 1
HBD: 0 FractionCSP3: 0.3
AlogP: 2.53 Num_rotatable_bonds: 2
MolWt: 180.2 Num_heavy_atoms: 13
TPSA: 35.53 NumAromaticRings: 1

Sugarmoiety
SD00017

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