GD152008

Name:

3,5-dihydroxy-2-(hydroxymethyl)-6-({3,4,5-trihydroxy-6-[(4,5,6-trihydroxy-2-methyloxan-3-yl)oxy]oxan-2-yl}methoxy)oxan-4-yl 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-({3,4,5-trihydroxy-6-[(2,4,5-trihydroxy-6-methyloxan-3-yl)oxy]oxan-2-yl}oxy)-docosahydropicene-4a-carboxylate

Formula:

C59H98O27

Smiles:

CC1OC(O)C(OC2OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6CC(C)(C)CCC6(C(=O)OC6C(O)C(CO)OC(OCC7OC(OC8C(C)OC(O)C(O)C8O)C(O)C(O)C7O)C6O)CCC45C)C3(C)CO)C(O)C(O)C2O)C(O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(O)C(O)C(O)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O.CC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0137326

AD48126

Formula: C30H50O4

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:	0.97
AlogP:	6.29	Num_rotatable_bonds:	2
MolWt:	474.73	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0