GD037949

Name:

5,10,15,20,25,30-hexakis(hydroxymethyl)-35-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2³,⁶.2⁸,¹¹.2¹³,¹⁶.2¹⁸,²¹.2²³,²⁶.2²⁸,³¹]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

Formula:

C48H80O40

Smiles:

OC[C@H]1O[C@H]2O[C@@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@H]6[C@@H](O)[C@@H](O)[C@@H](O[C@@H]7[C@@H](CO)O[C@@H](O[C@@H]8[C@@H](CO)O[C@@H](O[C@H]1[C@H](O)[C@@H]2O)[C@@H](O)[C@H]8O)[C@@H](O)[C@H]7O)O[C@@H]6CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H]3O

Aglycone:

OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O

Sugarmoiety:

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

Other Identifiers

• CNP0186680
• 4CQ

AD23792

Formula: C42H70O35

Smiles:

OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CO)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O

HBA:	35	RingCount:	21
HBD:	21	FractionCSP3:	1.0
AlogP:	-15.23	Num_rotatable_bonds:	7
MolWt:	1134.99	Num_heavy_atoms:	77
TPSA:	554.05	NumAromaticRings:	0