GD154484

Name:

2-{[18-hydroxy-1,6,6,12,16-pentamethyl-15-(6-methyl-7-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hept-5-en-2-yl)-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadecan-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C48H80O19

Smiles:

CC(=CCCC(C)C1CCC2(C)C3CC4OC45C(CCC(OC4OC(CO)C(O)C(O)C4O)C5(C)C)C3(C)C(O)CC12C)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC(=CCCC(C)C1CCC2(C)C3CC4OC45C(CCC(O)C5(C)C)C3(C)C(O)CC12C)CO

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0306466

AD61355

Formula: C30H50O4

Smiles:

CC(=CCCC(C)C1CCC2(C)C3CC4OC45C(CCC(O)C5(C)C)C3(C)C(O)CC12C)CO

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	5.49	Num_rotatable_bonds:	5
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	73.22	NumAromaticRings:	0