Glycoside
...
GD109190

Name:
None

Formula:
C29H30O14

Smiles:
CC(=O)OC[C@H]1O[C@H](Oc2cc(OC(=O)c3ccccc3)cc(O)c2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)c1c(O)cc(OC(=O)c2ccccc2)cc1O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 3
HBD: 1 FractionCSP3: 0.38
AlogP: 2.28 Num_rotatable_bonds: 10
MolWt: 602.55 Num_heavy_atoms: 43
TPSA: 187.26 NumAromaticRings: 2

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
AD44383
Formula: C15H12O5

Smiles:
CC(=O)c1c(O)cc(OC(=O)c2ccccc2)cc1O
HBA: 5 RingCount: 2
HBD: 2 FractionCSP3: 0.07
AlogP: 2.52 Num_rotatable_bonds: 3
MolWt: 272.26 Num_heavy_atoms: 20
TPSA: 83.83 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O