Glycoside
...
GD007571

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

Formula:
C50H70O23

Smiles:
O=C(OC[C@@H]1CC[C@](CO)(CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1)C(=Cc1ccc(O)cc1)C(=Cc1ccc(O)c(O)c1)C(=O)OC[C@@H]1CC[C@](CO)(CCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1

Aglycone:
O=C(OCC1CCC(CO)(CCO)C(O)C1)C(=Cc1ccc(O)cc1)C(=Cc1ccc(O)c(O)c1)C(=O)OCC1CCC(CO)(CCO)C(O)C1

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

Other Identifiers

Properties
HBA: 23 RingCount: 6
HBD: 15 FractionCSP3: 0.64
AlogP: -1.95 Num_rotatable_bonds: 21
MolWt: 1039.09 Num_heavy_atoms: 73
TPSA: 392.97 NumAromaticRings: 2

Unique Aglycone
AD06145
Formula: C38H50O13

Smiles:
O=C(OCC1CCC(CO)(CCO)C(O)C1)C(=Cc1ccc(O)cc1)C(=Cc1ccc(O)c(O)c1)C(=O)OCC1CCC(CO)(CCO)C(O)C1
HBA: 13 RingCount: 4
HBD: 9 FractionCSP3: 0.53
AlogP: 2.4 Num_rotatable_bonds: 15
MolWt: 714.8 Num_heavy_atoms: 51
TPSA: 234.67 NumAromaticRings: 2

Sugarmoiety
SD00019

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