Glycoside
...
GD118743

Name:
1-(6-{[5-({4-[(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy]-3-hydroxy-5-methoxy-6-methyloxan-2-yl}oxy)-4-hydroxy-3-methoxy-6-(methoxymethyl)oxan-2-yl]oxy}-7,7'-dihydroxy-6'-methyl-octahydro-2'H,3aH-2,4'-spirobi[[1,3]dioxolo[4,5-c]pyran]-7'-yl)ethan-1-one

Formula:
C36H58O22

Smiles:
COCC1OC(OC2OCC3OC4(OC3C2O)OC(C)C(O)(C(C)=O)C2OCOC24)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC(C)(O)C(O)C(C)O2)C1O

Aglycone:
CC(=O)C1(O)C(C)OC2(OC3COC(O)C(O)C3O2)C2OCOC21

Sugarmoiety:
COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC(C)(O)C(O)C(C)O2)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 6 FractionCSP3: 0.97
AlogP: -3.48 Num_rotatable_bonds: 11
MolWt: 842.84 Num_heavy_atoms: 58
TPSA: 276.9 NumAromaticRings: 0

Unique Aglycone
AD45192
Formula: C14H20O10

Smiles:
CC(=O)C1(O)C(C)OC2(OC3COC(O)C(O)C3O2)C2OCOC21
HBA: 10 RingCount: 4
HBD: 3 FractionCSP3: 0.93
AlogP: -2.39 Num_rotatable_bonds: 1
MolWt: 348.3 Num_heavy_atoms: 24
TPSA: 133.14 NumAromaticRings: 0

Sugarmoiety
SD05293

COCC1OC(O)C(OC)C(O)C1OC1OC(C)C(OC)C(OC2CC(C)(O)C(O)C(C)O2)C1O