GD143912

Name:

2-[(2-{[20-(dibutoxymethyl)-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}-5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxyoxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C60H102O23

Smiles:

CCCCOC(OCCCC)C1(C)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Aglycone:

CCCCOC(OCCCC)C1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0275808

AD57858

Formula: C38H66O5

Smiles:

CCCCOC(OCCCC)C1(C)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	1.0
AlogP:	8.29	Num_rotatable_bonds:	9
MolWt:	602.94	Num_heavy_atoms:	43
TPSA:	68.15	NumAromaticRings:	0