Glycoside
...
GD022757

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

Formula:
C50H64O23

Smiles:
O=C[C@]1(CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@H](COC(=O)C(=Cc2ccc(O)c(O)c2)C(=Cc2ccc(O)cc2)C(=O)OC[C@H]2CC[C@@](C=O)(C=CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)C2)C[C@H]1O

Aglycone:
O=CC1(C=CO)CCC(COC(=O)C(=Cc2ccc(O)cc2)C(=Cc2ccc(O)c(O)c2)C(=O)OCC2CCC(C=O)(CCO)C(O)C2)CC1O

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

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 13 FractionCSP3: 0.56
AlogP: -1.41 Num_rotatable_bonds: 20
MolWt: 1033.04 Num_heavy_atoms: 73
TPSA: 386.65 NumAromaticRings: 2

Unique Aglycone
AD15389
Formula: C38H44O13

Smiles:
O=CC1(C=CO)CCC(COC(=O)C(=Cc2ccc(O)cc2)C(=Cc2ccc(O)c(O)c2)C(=O)OCC2CCC(C=O)(CCO)C(O)C2)CC1O
HBA: 13 RingCount: 4
HBD: 7 FractionCSP3: 0.42
AlogP: 3.5 Num_rotatable_bonds: 14
MolWt: 708.76 Num_heavy_atoms: 51
TPSA: 228.35 NumAromaticRings: 2

Sugarmoiety
SD00019

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