Glycoside
...
GD016839

Name:
None

Formula:
C36H52O15

Smiles:
COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@](C)(CO)[C@@](C)(O)[C@@](C)(O)[C@]3(C)O[C@@]3(C)OC(C)(C)[C@@](C)(O)[C@@](C)(O)[C@H]3O)cc2O)cc1O

Aglycone:
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O

Sugarmoiety:
CC1(OC2(C)C(O)OC(C)(CO)C(C)(O)C2(C)O)OC(C)(C)C(C)(O)C(C)(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 4
HBD: 9 FractionCSP3: 0.64
AlogP: 1.78 Num_rotatable_bonds: 10
MolWt: 724.8 Num_heavy_atoms: 51
TPSA: 245.29 NumAromaticRings: 2

Unique Aglycone
AD00733
Formula: C16H16O6

Smiles:
COc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1O
HBA: 6 RingCount: 2
HBD: 4 FractionCSP3: 0.19
AlogP: 2.33 Num_rotatable_bonds: 5
MolWt: 304.3 Num_heavy_atoms: 22
TPSA: 107.22 NumAromaticRings: 2

Sugarmoiety
SD00226

CC1(OC2(C)C(O)OC(C)(CO)C(C)(O)C2(C)O)OC(C)(C)C(C)(O)C(C)(O)C1O