GD152326

Name:

2-(acetyloxy)-21,23-dihydroxy-10-[(5-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]oxan-2-yl)oxy]-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-22-yl 2-methylbut-2-enoate

Formula:

C60H96O26

Smiles:

CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C13C(O)OC21CCC2C4(C)CCC(OC5OCC(O)C(OC6OC(COC7OC(C)C(O)C(O)C7O)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3OC(C)=O

Aglycone:

CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C13C(O)OC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3OC(C)=O

Sugarmoiety:

CC1OC(OCC2OC(OC3C(O)COC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0121836

AD60664

Formula: C37H58O8

Smiles:

CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C13C(O)OC21CCC2C4(C)CCC(O)C(C)(C)C4CCC2(C)C1(C)CC3OC(C)=O

HBA:	8	RingCount:	6
HBD:	3	FractionCSP3:	0.89
AlogP:	5.7	Num_rotatable_bonds:	3
MolWt:	630.86	Num_heavy_atoms:	45
TPSA:	122.52	NumAromaticRings:	0