Glycoside
...
GD150293

Name:
So_Uy_032.1

Formula:
C40H36O21

Smiles:
COc1cc2c(=O)oc3c(OC)c(OC4CC(OC(=O)c5cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c5)C(OC(C)=O)C(COC(C)=O)O4)cc4c(=O)oc(c1OC)c2c34

Aglycone:
CC(=O)Oc1cc(C(=O)O)cc(OC(C)=O)c1OC(C)=O.COC(C)=O.COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34

Sugarmoiety:
CC(=O)OCC1OC(O)CC(O)O1

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 0 FractionCSP3: 0.35
AlogP: 3.51 Num_rotatable_bonds: 13
MolWt: 852.71 Num_heavy_atoms: 61
TPSA: 264.37 NumAromaticRings: 5

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
AD05280
Formula: C17H12O8

Smiles:
COc1cc2c(=O)oc3c(OC)c(O)cc4c(=O)oc(c1OC)c2c34
HBA: 8 RingCount: 4
HBD: 1 FractionCSP3: 0.18
AlogP: 2.22 Num_rotatable_bonds: 3
MolWt: 344.28 Num_heavy_atoms: 25
TPSA: 108.34 NumAromaticRings: 4
AD50343
Formula: C13H12O8

Smiles:
CC(=O)Oc1cc(C(=O)O)cc(OC(C)=O)c1OC(C)=O
HBA: 8 RingCount: 1
HBD: 1 FractionCSP3: 0.23
AlogP: 1.16 Num_rotatable_bonds: 4
MolWt: 296.23 Num_heavy_atoms: 21
TPSA: 116.2 NumAromaticRings: 1

Sugarmoiety
SD09770

CC(=O)OCC1OC(O)CC(O)O1