GD139815

Name:

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

Formula:

C54H86O23

Smiles:

CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CCC46OCC7(CCC(C)(C)CC74)C(=O)CC56C)C3(C)C)OC(C(=O)O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1

Sugarmoiety:

CC1OC(OC2C(O)OC(C(=O)O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0003123

AD12947

Formula: C30H48O3

Smiles:

CC1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.97
AlogP:	6.56	Num_rotatable_bonds:	0
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	46.53	NumAromaticRings:	0