Glycoside
...
GD134184

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

Formula:
C32H46O16

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

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

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 9 FractionCSP3: 0.78
AlogP: -1.04 Num_rotatable_bonds: 11
MolWt: 686.7 Num_heavy_atoms: 48
TPSA: 277.41 NumAromaticRings: 1

Unique Aglycone
AD54285
Formula: C26H36O11

Smiles:
CC(C)(O)C1CC(=O)C2(C)C(CCC(C)(C(O)c3ccoc3)C23OC3C(=O)O)C1(CO)C(O)CC(=O)O
HBA: 11 RingCount: 4
HBD: 6 FractionCSP3: 0.73
AlogP: 1.13 Num_rotatable_bonds: 8
MolWt: 524.56 Num_heavy_atoms: 37
TPSA: 198.26 NumAromaticRings: 1

Sugarmoiety
SD00003

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