GD119496

Name:

2-[(4-{17-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-9-methoxy-4,6,11,16,16-pentamethyl-8-oxahexacyclo[10.9.0.0¹,²⁰.0⁴,¹¹.0⁵,⁹.0¹⁵,²⁰]henicosan-7-yl}but-2-en-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C54H88O24

Smiles:

COC12CC3(C)C4CCC5C(C)(C)C(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC56CC46CCC3(C)C1C(C)C(CC=C(C)OC1OC(CO)C(O)C(O)C1O)O2

Aglycone:

COC12CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C1C(C)C(CC=C(C)O)O2

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0297070

AD47886

Formula: C30H48O4

Smiles:

COC12CC3(C)C4CCC5C(C)(C)C(O)CCC56CC46CCC3(C)C1C(C)C(CC=C(C)O)O2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	6.63	Num_rotatable_bonds:	3
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	58.92	NumAromaticRings:	0