GD129639

Name:

2-[(4,5-dihydroxy-6-{[2-hydroxy-7-(hydroxymethyl)-4,5,7,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C48H78O18

Smiles:

CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(OC3CCC4(C)C(C3)C(C)(CO)CC3(C)C4C=CC45OCC6(CCC(C)(C)CC64)C(O)CC35C)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)CC6C(C)(CO)CC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

CC1OC(OC2C(COC3OC(CO)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0302677

AD52516

Formula: C30H48O4

Smiles:

CC1(C)CCC23COC4(C=CC5C6(C)CCC(O)CC6C(C)(CO)CC5(C)C4(C)CC2O)C3C1

HBA:	4	RingCount:	6
HBD:	3	FractionCSP3:	0.93
AlogP:	5.1	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	69.92	NumAromaticRings:	0