GD116946

Name:

6-{[2-(acetyloxy)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-4-({3-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:

C61H98O28

Smiles:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6OC6OCC(O)(CO)C6O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC23OCC12CCC(C)(C)CC23

Aglycone:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CCC23OCC12CCC(C)(C)CC23

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C(=O)O)OC(O)C3OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)C(OC2OCC(O)(CO)C2O)C(O)C1O

Other Identifiers

• CNP0348695

AD46542

Formula: C32H52O4

Smiles:

CC(=O)OC1CC2(C)C3(C)CCC4C(C)(C)C(O)CCC4(C)C3CCC23OCC12CCC(C)(C)CC23

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.97
AlogP:	6.92	Num_rotatable_bonds:	1
MolWt:	500.76	Num_heavy_atoms:	36
TPSA:	55.76	NumAromaticRings:	0