Glycoside
...
GD107020

Name:
5-[1-(acetyloxy)-2-carboxyethyl]-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:
C34H48O16

Smiles:
CC(=O)O[C@@H](CC(=O)O)[C@@]1(C)[C@H](C(C)(C)O)CC(=O)[C@]2(C)[C@@H]1CC[C@@](C)([C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccoc1)[C@@]21O[C@H]1C(=O)O

Aglycone:
CC(=O)OC(CC(=O)O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC(C)(C(O)c1ccoc1)C21OC1C(=O)O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 7 FractionCSP3: 0.76
AlogP: 0.55 Num_rotatable_bonds: 11
MolWt: 712.74 Num_heavy_atoms: 50
TPSA: 263.25 NumAromaticRings: 1

Unique Aglycone
AD44260
Formula: C28H38O11

Smiles:
CC(=O)OC(CC(=O)O)C1(C)C(C(C)(C)O)CC(=O)C2(C)C1CCC(C)(C(O)c1ccoc1)C21OC1C(=O)O
HBA: 11 RingCount: 4
HBD: 4 FractionCSP3: 0.71
AlogP: 2.73 Num_rotatable_bonds: 8
MolWt: 550.6 Num_heavy_atoms: 39
TPSA: 184.1 NumAromaticRings: 1

Sugarmoiety
SD00003

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