GD029676

Name:

10-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-22-yl acetate

Formula:

C54H88O24

Smiles:

CC(=O)O[C@@H]1CC(C)(C)C[C@H]2[C@@]13CO[C@]21CC[C@@H]2[C@]4(C)CC[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@](C)(CO)[C@H]4CC[C@@]2(C)[C@@]1(C)C[C@@H]3O

Aglycone:

CC(=O)OC1CC(C)(C)CC2C13COC21CCC2C4(C)CCC(O)C(C)(CO)C4CCC2(C)C1(C)CC3O

Sugarmoiety:

OCC1OC(OC2COC(O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2420029
• CNP0079214

AD19282

Formula: C32H52O6

Smiles:

CC(=O)OC1CC(C)(C)CC2C13COC21CCC2C4(C)CCC(O)C(C)(CO)C4CCC2(C)C1(C)CC3O

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.97
AlogP:	4.87	Num_rotatable_bonds:	2
MolWt:	532.76	Num_heavy_atoms:	38
TPSA:	96.22	NumAromaticRings:	0