GD147214

Name:

5'-[(3,4-dihydroxy-5-methoxyoxolan-2-yl)oxy]-6'-{[16-hydroxy-2,4,4,6,10,16-hexamethyl-18-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-7-yl]oxy}-6-(hydroxymethyl)-[2,3'-bioxane]-3,3',4,4',5-pentol

Formula:

C47H76O17

Smiles:

COC1OC(OC2C(OC3CCC4(C)C(C3C)C(C)(C)CC3(C)C4CCC4C5C(C)(O)CC(C=C(C)C)OC56CC43CO6)OCC(O)(C3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O

Aglycone:

CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)C5C(C)(C)CC4(C)C34COC2(C4)O1

Sugarmoiety:

COC1OC(OC2C(O)OCC(O)(C3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O

Other Identifiers

• CNP0341857

AD58967

Formula: C31H50O4

Smiles:

CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(O)C(C)C5C(C)(C)CC4(C)C34COC2(C4)O1

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.94
AlogP:	6.1	Num_rotatable_bonds:	1
MolWt:	486.74	Num_heavy_atoms:	35
TPSA:	58.92	NumAromaticRings:	0