GD129076

Name:

methyl 5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-3,4-dihydroxy-6-{[19-(2-hydroxypropan-2-yl)-4,5,9,9,13-pentamethyl-22-oxo-21-oxahexacyclo[18.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tricosan-10-yl]oxy}oxane-2-carboxylate

Formula:

C48H76O19

Smiles:

COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CCC3C5C(C(C)(C)O)C6CC5(CCC34C)C(=O)O6)C2(C)C)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:

CC(C)(O)C1C2CC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C13)C(=O)O2

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0180480

AD04069

Formula: C30H48O4

Smiles:

CC(C)(O)C1C2CC3(CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C13)C(=O)O2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.97
AlogP:	5.74	Num_rotatable_bonds:	1
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0