Glycoside
...
GD107055

Name:
5-[1-(acetyloxy)-3-methoxy-3-oxopropyl]-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:
C35H50O16

Smiles:
COC(=O)C[C@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@](C)([C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccoc3)[C@@]3(O[C@H]3C(=O)O)[C@]2(C)C(=O)C[C@H]1C(C)(C)O

Aglycone:
COC(=O)CC(OC(C)=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: 6 FractionCSP3: 0.77
AlogP: 0.64 Num_rotatable_bonds: 11
MolWt: 726.77 Num_heavy_atoms: 51
TPSA: 252.25 NumAromaticRings: 1

Unique Aglycone
AD44268
Formula: C29H40O11

Smiles:
COC(=O)CC(OC(C)=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: 3 FractionCSP3: 0.72
AlogP: 2.82 Num_rotatable_bonds: 8
MolWt: 564.63 Num_heavy_atoms: 40
TPSA: 173.1 NumAromaticRings: 1

Sugarmoiety
SD00003

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