Glycoside
...
GD031325

Name:
None

Formula:
C36H42O6

Smiles:
Cc1ccc(COCC(OCc2ccccc2)C(O)C(O)C(COCc2ccc(C)cc2)OCc2ccccc2)cc1

Aglycone:
Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1

Sugarmoiety:
OOCC(OO)C(O)C(O)C(COO)OO

Other Identifiers

Properties
HBA: 6 RingCount: 4
HBD: 2 FractionCSP3: 0.33
AlogP: 5.93 Num_rotatable_bonds: 17
MolWt: 570.73 Num_heavy_atoms: 42
TPSA: 77.38 NumAromaticRings: 4

Unique Aglycone
AD00274
Formula: C7H8

Smiles:
Cc1ccccc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 2.0 Num_rotatable_bonds: 0
MolWt: 92.14 Num_heavy_atoms: 7
TPSA: 0.0 NumAromaticRings: 1
AD01337
Formula: C8H10

Smiles:
Cc1ccc(C)cc1
HBA: 0 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 2.3 Num_rotatable_bonds: 0
MolWt: 106.17 Num_heavy_atoms: 8
TPSA: 0.0 NumAromaticRings: 1

Sugarmoiety
SD00358

OOCC(OO)C(O)C(O)C(COO)OO