Glycoside
...
GD144105

Name:
Trifloroside

Formula:
C35H42O20

Smiles:
C=CC1C(OC2OC(COC(C)=O)C(OC(=O)c3cccc(OC4OC(CO)C(O)C(O)C4O)c3O)C(OC(C)=O)C2OC(C)=O)OC=C2C(=O)OCCC21

Aglycone:
C=CC1C(O)OC=C2C(=O)OCCC21.COC(C)=O.O=C(O)c1cccc(O)c1O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 5
HBD: 5 FractionCSP3: 0.57
AlogP: -1.13 Num_rotatable_bonds: 12
MolWt: 782.7 Num_heavy_atoms: 55
TPSA: 278.8 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
AD06795
Formula: C10H12O4

Smiles:
C=CC1C(O)OC=C2C(=O)OCCC21
HBA: 4 RingCount: 2
HBD: 1 FractionCSP3: 0.5
AlogP: 0.58 Num_rotatable_bonds: 1
MolWt: 196.2 Num_heavy_atoms: 14
TPSA: 55.76 NumAromaticRings: 0
AD06796
Formula: C7H6O4

Smiles:
O=C(O)c1cccc(O)c1O
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 0.8 Num_rotatable_bonds: 1
MolWt: 154.12 Num_heavy_atoms: 11
TPSA: 77.76 NumAromaticRings: 1

Sugarmoiety
SD06453

CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=O.OCC1OC(O)C(O)C(O)C1O