Glycoside
...
GD142273

Name:
Perisaccharide C

Formula:
C36H60O18

Smiles:
COC1CC(=O)OC(C)C1OC1CC(O)C(OC2CC(OC)C(OC3CC(OC)C(OC4OC(C)C(O)C(OC)C4OC(C)=O)C(C)O3)C(C)O2)C(C)O1

Aglycone:
COC1CC(=O)OC(C)C1O

Sugarmoiety:
COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2OC(C)=O)C(C)O1

Other Identifiers

Properties
HBA: 18 RingCount: 5
HBD: 2 FractionCSP3: 0.94
AlogP: 0.73 Num_rotatable_bonds: 13
MolWt: 780.86 Num_heavy_atoms: 54
TPSA: 203.82 NumAromaticRings: 0

Unique Aglycone
AD44278
Formula: C7H12O4

Smiles:
COC1CC(=O)OC(C)C1O
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.86
AlogP: -0.3 Num_rotatable_bonds: 1
MolWt: 160.17 Num_heavy_atoms: 11
TPSA: 55.76 NumAromaticRings: 0

Sugarmoiety
SD02302

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(O)C(OC)C2OC(C)=O)C(C)O1