GD123650

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-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:

C54H88O25

Smiles:

CC(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C4(C)CCC5C(C)(CO)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(=O)OC1CC(C)(C)CC2C13C(O)CC1(C)C4(C)CCC5C(C)(CO)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

• CNP0257486

AD49923

Formula: C32H52O7

Smiles:

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

HBA:	7	RingCount:	6
HBD:	4	FractionCSP3:	0.97
AlogP:	4.18	Num_rotatable_bonds:	2
MolWt:	548.76	Num_heavy_atoms:	39
TPSA:	116.45	NumAromaticRings:	0