GD127990

Name:

4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl 8-[(4,5-dihydroxy-3-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-2-yl)oxy]-4a,4b,7,7,10a-pentamethyl-2-(3-methyl-4-oxopentyl)-2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b-tetradecahydrochrysene-2-carboxylate

Formula:

C58H92O26

Smiles:

CC(=O)C(C)CCC1(C(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C=C2C=CC3C4(C)CCC(OC5OCC(O)C(O)C5OC5C(O)C(O)OC(CO)C5O)C(C)(C)C4CCC3(C)C2(C)CC1

Aglycone:

CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1

Sugarmoiety:

CC1OC(OC2C(O)OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(OC2C(O)OCC(O)C2O)C1O

Other Identifiers

• CNP0113340

AD45930

Formula: C30H46O4

Smiles:

CC(=O)C(C)CCC1(C(=O)O)C=C2C=CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C)CC1

HBA:	4	RingCount:	4
HBD:	2	FractionCSP3:	0.8
AlogP:	6.58	Num_rotatable_bonds:	5
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	74.6	NumAromaticRings:	0