GD152263

Name:

2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-[(7,9,13-trimethyl-6-{3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butyl}-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-16-yl)oxy]oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C44H72O17

Smiles:

CC1=C(CCC(C)C2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C12

Aglycone:

CCCCC1=C(C)C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC32C)O1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0123989

AD60642

Formula: C26H42O2

Smiles:

CCCCC1=C(C)C2C(CC3C4CCC5CC(O)CCC5(C)C4CCC32C)O1

HBA:	2	RingCount:	5
HBD:	1	FractionCSP3:	0.92
AlogP:	6.48	Num_rotatable_bonds:	3
MolWt:	386.62	Num_heavy_atoms:	28
TPSA:	29.46	NumAromaticRings:	0