GD133730

Name:

3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 1,10-bis(acetyloxy)-9-[(acetyloxy)methyl]-1,2,6a,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-carboxylate

Formula:

C50H72O17

Smiles:

CC(=O)OCC1OC(OC(=O)C23CCC(C)C(C)(OC(C)=O)C2C2=CCC4C5(C)CCC(OC(C)=O)C(C)(COC(C)=O)C5CCC4(C)C2(C)CC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)OC(C)=O)CCC21C.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CNP0345989

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD54109

Formula: C36H54O8

Smiles:

CC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C1CCC1(C)C2CC=C2C3C(C(=O)O)(CCC(C)C3(C)OC(C)=O)CCC21C

HBA:	8	RingCount:	5
HBD:	1	FractionCSP3:	0.83
AlogP:	6.89	Num_rotatable_bonds:	5
MolWt:	614.82	Num_heavy_atoms:	44
TPSA:	116.2	NumAromaticRings:	0