GD154627

Name:

7-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-4-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxyoxan-2-yl)oxy]-16-hydroxy-2,6,6,10,16-pentamethyl-18-(3-methylbut-3-en-2-yl)-19,21-dioxahexacyclo[18.2.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tricosan-17-yl acetate

Formula:

C54H86O23

Smiles:

C=C(C)C(C)C1OC23CC4(CO2)C(CCC2C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC24C)C3C(C)(O)C1OC(C)=O

Aglycone:

C=C(C)C(C)C1OC23CC4(CO2)C(CCC2C5(C)CCC(O)C(C)(C)C5CCC24C)C3C(C)(O)C1OC(C)=O

Sugarmoiety:

OCC1OC(OC2C(O)OCC(O)C2OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2O)C(O)C1O

Other Identifiers

• CNP0348661

AD61394

Formula: C33H52O6

Smiles:

C=C(C)C(C)C1OC23CC4(CO2)C(CCC2C5(C)CCC(O)C(C)(C)C5CCC24C)C3C(C)(O)C1OC(C)=O

HBA:	6	RingCount:	6
HBD:	2	FractionCSP3:	0.91
AlogP:	5.64	Num_rotatable_bonds:	3
MolWt:	544.77	Num_heavy_atoms:	39
TPSA:	85.22	NumAromaticRings:	0