GD134851

Name:

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}oxan-3-yl]oxy}-5-hydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Formula:

C54H88O22

Smiles:

CC1OC(OC2C(O)C(C)OC(OC3C(CO)OC(OC4CCC5(C)C(CCC6(C)C5C=CC57OCC8(CCC(C)(C)CC85)CCC67C)C4(C)CO)C(O)C3O)C2OC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5C=CC4(OC2)C3C1

Sugarmoiety:

CC1OC(OC2C(O)C(C)OC(OC3C(CO)OC(O)C(O)C3O)C2OC2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0249526

AD47583

Formula: C30H48O3

Smiles:

CC1(C)CCC23CCC4(C)C5(C)CCC6C(C)(CO)C(O)CCC6(C)C5C=CC4(OC2)C3C1

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	6.13	Num_rotatable_bonds:	1
MolWt:	456.71	Num_heavy_atoms:	33
TPSA:	49.69	NumAromaticRings:	0