Glycoside
...
GD139394

Name:
5-(2-carboxyeth-1-en-1-yl)-2-[(furan-3-yl)({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-8-oxo-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-3'-carboxylic acid

Formula:
C32H44O14

Smiles:
CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(OC3OC(CO)C(O)C(O)C3O)c3ccoc3)C23OC3C(=O)O)C1(C)C=CC(=O)O

Aglycone:
CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(O)c3ccoc3)C23OC3C(=O)O)C1(C)C=CC(=O)O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 7 FractionCSP3: 0.72
AlogP: 0.79 Num_rotatable_bonds: 9
MolWt: 652.69 Num_heavy_atoms: 46
TPSA: 236.95 NumAromaticRings: 1

Unique Aglycone
AD56207
Formula: C26H34O9

Smiles:
CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(O)c3ccoc3)C23OC3C(=O)O)C1(C)C=CC(=O)O
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.65
AlogP: 2.96 Num_rotatable_bonds: 6
MolWt: 490.55 Num_heavy_atoms: 35
TPSA: 157.8 NumAromaticRings: 1

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O