GD019986

Name:

6-{[2-(acetyloxy)-21-(benzoyloxy)-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-[(3-phenylprop-2-enoyl)oxy]-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-4-{[3-({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:

C78H110O33

Smiles:

CC(=O)O[C@@H]1C[C@]2(C)[C@@]3(CCC4[C@]5(C)CC[C@H](O[C@@H]6OC(C(=O)O)[C@H](O)C(O[C@@H]7OC(CO)[C@H](O)C(O)[C@H]7OC7O[C@H](C)C(O)[C@H](O)C7OC7O[C@H](C)[C@H](O)C(O)[C@H]7O)[C@H]6O[C@@H]6OC(CO)[C@H](O)C(O)[C@H]6O)C(C)(C)C5CC[C@]42C)O[C@H](O)[C@]12C3CC(C)(C)[C@H](OC(=O)c1ccccc1)[C@H]2OC(=O)C=Cc1ccccc1

Aglycone:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CCC23OC(O)C12C(OC(=O)C=Cc1ccccc1)C(OC(=O)c1ccccc1)C(C)(C)CC23

Sugarmoiety:

CC1OC(OC2C(OC3C(OC4C(O)C(C(=O)O)OC(O)C4OC4OC(CO)C(O)C(O)C4O)OC(CO)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL437811
• CNP0420185

AD13871

Formula: C48H62O9

Smiles:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CCC23OC(O)C12C(OC(=O)C=Cc1ccccc1)C(OC(=O)c1ccccc1)C(C)(C)CC23

HBA:	9	RingCount:	8
HBD:	2	FractionCSP3:	0.65
AlogP:	8.31	Num_rotatable_bonds:	6
MolWt:	783.02	Num_heavy_atoms:	57
TPSA:	128.59	NumAromaticRings:	2