GD120973

Name:

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

Formula:

C60H96O29

Smiles:

CC(=O)OC1CC(C)(C=O)CC2C13COC21CCC2C4(C)CCC(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C5OC5OC(CO)C(OC6OC(CO)C(O)C(O)C6O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3O

Aglycone:

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

Sugarmoiety:

OCC1OC(OC2C(CO)OC(OC3C(O)OCC(OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0112528

AD48651

Formula: C32H50O6

Smiles:

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

HBA:	6	RingCount:	6
HBD:	2	FractionCSP3:	0.94
AlogP:	5.07	Num_rotatable_bonds:	2
MolWt:	530.75	Num_heavy_atoms:	38
TPSA:	93.06	NumAromaticRings:	0