Glycoside
...
GD030115

Name:
1-[3-hydroxy-4-(hydroxymethyl)-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethenyl)cyclohexyl]methyl 4-[3-hydroxy-4-(hydroxymethyl)-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohexyl]methyl 3-[(3,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylidene]butanedioate

Formula:
C53H74O23

Smiles:
COc1ccc(C=C(C(=O)OC[C@@H]2CC[C@](C=CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)(CO)[C@H](O)C2)C(=Cc2ccc(OC)c(OC)c2)C(=O)OC[C@@H]2CC[C@](CO)(CCO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)C2)cc1

Aglycone:
COc1ccc(C=C(C(=O)OCC2CCC(C=CO)(CO)C(O)C2)C(=Cc2ccc(OC)c(OC)c2)C(=O)OCC2CCC(CO)(CCO)C(O)C2)cc1

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

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 12 FractionCSP3: 0.62
AlogP: -0.92 Num_rotatable_bonds: 23
MolWt: 1079.15 Num_heavy_atoms: 76
TPSA: 359.97 NumAromaticRings: 2

Unique Aglycone
AD19508
Formula: C41H54O13

Smiles:
COc1ccc(C=C(C(=O)OCC2CCC(C=CO)(CO)C(O)C2)C(=Cc2ccc(OC)c(OC)c2)C(=O)OCC2CCC(CO)(CCO)C(O)C2)cc1
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.51
AlogP: 4.0 Num_rotatable_bonds: 17
MolWt: 754.87 Num_heavy_atoms: 54
TPSA: 201.67 NumAromaticRings: 2

Sugarmoiety
SD00019

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