GD121288

Name:

6-[(4,5-dihydroxy-2-{[10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-22-oxo-23-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-17-en-11-yl]oxy}-6-(methoxycarbonyl)oxan-3-yl)oxy]-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:

C49H74O20

Smiles:

COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC6(C)CC(OC6=O)C5(C)CCC34C)C2(C)CO)C(OC2OC(C(=O)O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Aglycone:

CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1C2

Sugarmoiety:

COC(=O)C1OC(O)C(OC2OC(C(=O)O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0224260

AD22111

Formula: C30H46O4

Smiles:

CC12CC(OC1=O)C1(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C1C2

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	5.66	Num_rotatable_bonds:	1
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0