Glycoside
...
GD032297

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

Formula:
C50H62O23

Smiles:
O=C[C@]1(C=CO[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)(C=CO)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: 0.52
AlogP: -1.29 Num_rotatable_bonds: 19
MolWt: 1031.02 Num_heavy_atoms: 73
TPSA: 386.65 NumAromaticRings: 2

Unique Aglycone
AD20723
Formula: C38H42O13

Smiles:
O=CC1(C=CO)CCC(COC(=O)C(=Cc2ccc(O)cc2)C(=Cc2ccc(O)c(O)c2)C(=O)OCC2CCC(C=O)(C=CO)C(O)C2)CC1O
HBA: 13 RingCount: 4
HBD: 7 FractionCSP3: 0.37
AlogP: 4.19 Num_rotatable_bonds: 13
MolWt: 706.74 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