GD156359

Name:

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

Formula:

C64H106O30

Smiles:

CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CCC4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)C(O)C2O)C(O)C(OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(OC2OCC(OC3OCC(O)C(O)C3O)C(O)C2O)C1O.OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0235783

AD48782

Formula: C30H50O3

Smiles:

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

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.97
AlogP:	7.31	Num_rotatable_bonds:	1
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	57.53	NumAromaticRings:	0