GD136325

Name:

6-{[21-(acetyloxy)-23-hydroxy-4,5,9,9,13,20,20-heptamethyl-22-[(2-methylbut-2-enoyl)oxy]-2-(propanoyloxy)-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:

C64H100O29

Smiles:

CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C13C(O)OC21CCC2C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3OC(=O)CC

Aglycone:

CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C13C(O)OC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3OC(=O)CC

Sugarmoiety:

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

Other Identifiers

• CNP0132192

AD55101

Formula: C40H62O9

Smiles:

CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C13C(O)OC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3OC(=O)CC

HBA:	9	RingCount:	6
HBD:	2	FractionCSP3:	0.88
AlogP:	6.66	Num_rotatable_bonds:	5
MolWt:	686.93	Num_heavy_atoms:	49
TPSA:	128.59	NumAromaticRings:	0