GD134046

Name:

7,7,12,16-tetramethyl-15-(6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[(3,4,5-trihydroxyoxan-2-yl)oxy]heptan-2-yl)-6,9-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-14-yl acetate

Formula:

C55H92O23

Smiles:

CC(=O)OC1CC2(C)C3CC(OC4OC(C)C(O)C(O)C4O)C4C(C)(C)C(OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC2(C)C1C(C)CCC(OC1OC(CO)C(O)C(O)C1O)C(C)(C)OC1OCC(O)C(O)C1O

Aglycone:

CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0261412

AD50215

Formula: C32H54O6

Smiles:

CC(=O)OC1CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC2(C)C1C(C)CCC(O)C(C)(C)O

HBA:	6	RingCount:	5
HBD:	4	FractionCSP3:	0.97
AlogP:	4.85	Num_rotatable_bonds:	6
MolWt:	534.78	Num_heavy_atoms:	38
TPSA:	107.22	NumAromaticRings:	0