GD127351

Name:

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

Formula:

C54H88O23

Smiles:

CC(=O)OC1CC(C)(C)CC2C13COC21CCC2C4(C)CCC(OC5OCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3O

Aglycone:

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

Sugarmoiety:

OCC1OC(OC2C(CO)OC(OC3COC(O)C(O)C3O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0173822

AD16978

Formula: C32H52O5

Smiles:

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

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.97
AlogP:	5.89	Num_rotatable_bonds:	1
MolWt:	516.76	Num_heavy_atoms:	37
TPSA:	75.99	NumAromaticRings:	0