Glycoside
...
GD130924

Name:
5-(2-carboxy-1-hydroxyethyl)-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:
C32H46O15

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(O)CC(=O)O

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

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

Other Identifiers

Properties
HBA: 15 RingCount: 5
HBD: 8 FractionCSP3: 0.78
AlogP: -0.02 Num_rotatable_bonds: 10
MolWt: 670.71 Num_heavy_atoms: 47
TPSA: 257.18 NumAromaticRings: 1

Unique Aglycone
AD53060
Formula: C26H36O10

Smiles:
CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(O)c3ccoc3)C23OC3C(=O)O)C1(C)C(O)CC(=O)O
HBA: 10 RingCount: 4
HBD: 5 FractionCSP3: 0.73
AlogP: 2.16 Num_rotatable_bonds: 7
MolWt: 508.56 Num_heavy_atoms: 36
TPSA: 178.03 NumAromaticRings: 1

Sugarmoiety
SD00003

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