GD146763

Name:

10-{[3-({3-[(5-{[4-(acetyloxy)-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-4,5-dihydroxyoxan-2-yl}oxy)-4,5-dihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Formula:

C59H94O26

Smiles:

CC(=O)OC1C(O)COC(OC2C(C)OC(OC3C(OC4C(OC5CCC6(C)C(CCC7(C)C6CC=C6C8CC(C)(C)CCC8(C(=O)O)CCC67C)C5(C)CO)OC(COC5OCC(O)C(O)C5O)C(O)C4O)OCC(O)C3O)C(O)C2O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:

CC(=O)OC1C(O)COC(OC2C(C)OC(OC3C(OC4C(O)OC(COC5OCC(O)C(O)C5O)C(O)C4O)OCC(O)C3O)C(O)C2O)C1O

Other Identifiers

• CNP0087336

AD00356

Formula: C30H48O4

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.21	Num_rotatable_bonds:	2
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0