Glycoside
...
GD127998

Name:
None

Formula:
C32H46O9

Smiles:
CC(=O)OCC1OC(Oc2cc(C)c(O)cc2CC=C(C)CCC=C(C)CCC=C(C)C)C(O)C(OC(C)=O)C1O

Aglycone:
CC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)c(C)cc1O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.56
AlogP: 4.98 Num_rotatable_bonds: 13
MolWt: 574.71 Num_heavy_atoms: 41
TPSA: 131.75 NumAromaticRings: 1

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD47987
Formula: C22H32O2

Smiles:
CC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)c(C)cc1O
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.45
AlogP: 6.37 Num_rotatable_bonds: 8
MolWt: 328.5 Num_heavy_atoms: 24
TPSA: 40.46 NumAromaticRings: 1

Sugarmoiety
SD01371

CC(=O)OC1C(O)C(O)OC(O)C1O