GD117771

Name:

10-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-6-methyl-3-{[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]tetracos-15-en-21-yl acetate

Formula:

C56H90O24

Smiles:

CC(=O)OC1CC23COC4(C=CC5C6(C)CCC(OC7OC(C)C(O)C(OC8OC(CO)C(OC9OC(C)C(O)C(O)C9O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3CC1(C)C

Aglycone:

CC(=O)OC1CC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3CC1(C)C

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0262802

AD47001

Formula: C32H50O6

Smiles:

CC(=O)OC1CC23COC4(C=CC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2O)C3CC1(C)C

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.91
AlogP:	4.64	Num_rotatable_bonds:	2
MolWt:	530.75	Num_heavy_atoms:	38
TPSA:	96.22	NumAromaticRings:	0