GD136533

Name:

methyl 3,4-dihydroxy-6-{[2-hydroxy-20-(hydroxymethyl)-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-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

Formula:

C43H70O15

Smiles:

COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CCC35OCC6(CCC(C)(CO)CC63)C(O)CC45C)C2(C)C)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC1(CO)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0299575

AD05529

Formula: C30H50O4

Smiles:

CC1(CO)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

HBA:	4	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	5.32	Num_rotatable_bonds:	1
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	69.92	NumAromaticRings:	0