Glycoside
...
GD035942

Name:
None

Formula:
C18H24O9

Smiles:
CC(=O)OC[C@@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@H](OC(C)=O)[C@H]1O

Aglycone:
COC(C)=O.OCCc1ccc(O)cc1

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

Other Identifiers

Properties
HBA: 9 RingCount: 2
HBD: 3 FractionCSP3: 0.56
AlogP: -0.11 Num_rotatable_bonds: 7
MolWt: 384.38 Num_heavy_atoms: 27
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
AD03863
Formula: C8H10O2

Smiles:
OCCc1ccc(O)cc1
HBA: 2 RingCount: 1
HBD: 2 FractionCSP3: 0.25
AlogP: 0.93 Num_rotatable_bonds: 2
MolWt: 138.17 Num_heavy_atoms: 10
TPSA: 40.46 NumAromaticRings: 1

Sugarmoiety
SD01371

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