Glycoside
...
GD019480

Name:
2,3-bis{[4-formyl-3-hydroxy-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethenyl)cyclohexyl]methyl} 7,8-dihydroxy-1-(4-hydroxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate

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@H]2C(C(=O)OC[C@H]3CC[C@@](C=O)(C=CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)C3)=Cc3ccc(O)c(O)c3[C@@H]2c2ccc(O)cc2)C[C@H]1O

Aglycone:
O=CC1(C=CO)CCC(COC(=O)C2=Cc3ccc(O)c(O)c3C(c3ccc(O)cc3)C2C(=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: 7
HBD: 13 FractionCSP3: 0.56
AlogP: -1.61 Num_rotatable_bonds: 17
MolWt: 1031.02 Num_heavy_atoms: 73
TPSA: 386.65 NumAromaticRings: 2

Unique Aglycone
AD13596
Formula: C38H42O13

Smiles:
O=CC1(C=CO)CCC(COC(=O)C2=Cc3ccc(O)c(O)c3C(c3ccc(O)cc3)C2C(=O)OCC2CCC(C=O)(C=CO)C(O)C2)CC1O
HBA: 13 RingCount: 5
HBD: 7 FractionCSP3: 0.42
AlogP: 3.87 Num_rotatable_bonds: 11
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