Glycoside
...
GD109988

Name:
None

Formula:
C31H32O14

Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2cccc3c2C(=O)O[C@H](c2ccc(OC(C)=O)cc2)C3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
CC(=O)Oc1ccc(C2Cc3cccc(O)c3C(=O)O2)cc1.COC(C)=O

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

Other Identifiers

Properties
HBA: 14 RingCount: 4
HBD: 0 FractionCSP3: 0.42
AlogP: 2.53 Num_rotatable_bonds: 9
MolWt: 628.58 Num_heavy_atoms: 45
TPSA: 176.26 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
AD44604
Formula: C17H14O5

Smiles:
CC(=O)Oc1ccc(C2Cc3cccc(O)c3C(=O)O2)cc1
HBA: 5 RingCount: 3
HBD: 1 FractionCSP3: 0.18
AlogP: 2.77 Num_rotatable_bonds: 2
MolWt: 298.29 Num_heavy_atoms: 22
TPSA: 72.83 NumAromaticRings: 2

Sugarmoiety
SD00012

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