GD145565

Name:

2-{[4,5-dihydroxy-2-({15-[4-hydroxy-2-methoxy-5-(2-methylprop-1-en-1-yl)oxolan-3-yl]-7-(hydroxymethyl)-7,12,16-trimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C49H80O18

Smiles:

COC1OC(C=C(C)C)C(O)C1C1CCC2(C)C3CCC4C(C)(CO)C(OC5OC(COC6OC(C)C(O)C(O)C6O)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC45CC35CCC12C

Aglycone:

CC1(CO)C(O)CCC23CC24CCC2(C)CCCC2(C)C4CCC13

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.COC1OC(C=C(C)C)C(O)C1O

Other Identifiers

• CNP0158723

AD46520

Formula: C22H36O2

Smiles:

CC1(CO)C(O)CCC23CC24CCC2(C)CCCC2(C)C4CCC13

HBA:	2	RingCount:	5
HBD:	2	FractionCSP3:	1.0
AlogP:	4.53	Num_rotatable_bonds:	1
MolWt:	332.53	Num_heavy_atoms:	24
TPSA:	40.46	NumAromaticRings:	0