GD152450

Name:

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

Formula:

C54H88O20

Smiles:

CC1OC(OC2C(C)OC(OC3CCC4(C)C5CCC6=C(CCC7(C(=O)OC8OC(COC9CC(CO)C(O)C(O)C9O)C(O)C(O)C8O)CCC(C)(C)CC67)C5(C)CCC4C3(C)C)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1.COC1CC(CO)C(O)C(O)C1O

Sugarmoiety:

CC1OC(OC2C(C)OC(O)C(O)C2O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0090042

AD47165

Formula: C29H46O3

Smiles:

CC1(C)CCC2(C(=O)O)CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	2	FractionCSP3:	0.9
AlogP:	6.99	Num_rotatable_bonds:	1
MolWt:	442.68	Num_heavy_atoms:	32
TPSA:	57.53	NumAromaticRings:	0

AD47730

Formula: C8H16O5

Smiles:

COC1CC(CO)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	4	FractionCSP3:	1.0
AlogP:	-1.9	Num_rotatable_bonds:	2
MolWt:	192.21	Num_heavy_atoms:	13
TPSA:	90.15	NumAromaticRings:	0