Glycoside
...
GD001692

Name:
None

Formula:
C35H45O18N

Smiles:
CON=Cc1ccc(O[C@@H]2O[C@H](CCC(C)=O)[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1

Aglycone:
CCC(C)=O.COC(C)=O.CON=Cc1ccc(O)cc1

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 19 RingCount: 3
HBD: 0 FractionCSP3: 0.6
AlogP: 1.47 Num_rotatable_bonds: 16
MolWt: 767.73 Num_heavy_atoms: 54
TPSA: 233.38 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
AD01017
Formula: C8H9O2N

Smiles:
CON=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.12
AlogP: 1.37 Num_rotatable_bonds: 2
MolWt: 151.16 Num_heavy_atoms: 11
TPSA: 41.82 NumAromaticRings: 1
AD01670
Formula: C4H8O

Smiles:
CCC(C)=O
HBA: 1 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.99 Num_rotatable_bonds: 1
MolWt: 72.11 Num_heavy_atoms: 5
TPSA: 17.07 NumAromaticRings: 0

Sugarmoiety
SD00271

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O