Glycoside
...
GD003974

Name:
None

Formula:
C25H26O14

Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2cc3ccc(=O)oc3cc2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:
CC(=O)Oc1cc2oc(=O)ccc2cc1O.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: 0 FractionCSP3: 0.44
AlogP: 1.18 Num_rotatable_bonds: 8
MolWt: 550.47 Num_heavy_atoms: 39
TPSA: 180.17 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
AD03538
Formula: C11H8O5

Smiles:
CC(=O)Oc1cc2oc(=O)ccc2cc1O
HBA: 5 RingCount: 2
HBD: 1 FractionCSP3: 0.09
AlogP: 1.42 Num_rotatable_bonds: 1
MolWt: 220.18 Num_heavy_atoms: 16
TPSA: 76.74 NumAromaticRings: 2

Sugarmoiety
SD00012

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