GD130894

Name:

10-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,23-dihydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-22-yl 3-methylbutanoate

Formula:

C57H94O24

Smiles:

CC(C)CC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C4(C)CCC5C(C)(C)C(OC6OCC(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC21OC3O

Aglycone:

CC(C)CC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC21OC3O

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0244274

AD53044

Formula: C35H58O6

Smiles:

CC(C)CC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C4(C)CCC5C(C)(C)C(O)CCC5(C)C4CCC21OC3O

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.97
AlogP:	6.24	Num_rotatable_bonds:	3
MolWt:	574.84	Num_heavy_atoms:	41
TPSA:	96.22	NumAromaticRings:	0