Glycoside
...
GD036170

Name:
None

Formula:
C28H36O9

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

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

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

Other Identifiers

Properties
HBA: 9 RingCount: 4
HBD: 3 FractionCSP3: 0.54
AlogP: 3.09 Num_rotatable_bonds: 6
MolWt: 516.59 Num_heavy_atoms: 37
TPSA: 123.91 NumAromaticRings: 2

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
AD22837
Formula: C6H12O3

Smiles:
COC(=O)OC(C)(C)C
HBA: 3 RingCount: 0
HBD: 0 FractionCSP3: 0.83
AlogP: 1.57 Num_rotatable_bonds: 0
MolWt: 132.16 Num_heavy_atoms: 9
TPSA: 35.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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