GD153041

Name:

3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 10,11-bis(acetyloxy)-1-{[3-(acetyloxy)but-2-enoyl]oxy}-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Formula:

C54H76O19

Smiles:

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

Aglycone:

CC(=O)OC(C)=CC(=O)OC1C2C3=CCC4C5(C)CC(OC(C)=O)C(OC(C)=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0269897

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

AD60893

Formula: C40H58O10

Smiles:

CC(=O)OC(C)=CC(=O)OC1C2C3=CCC4C5(C)CC(OC(C)=O)C(OC(C)=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1(C)C

HBA:	10	RingCount:	5
HBD:	1	FractionCSP3:	0.78
AlogP:	7.33	Num_rotatable_bonds:	6
MolWt:	698.89	Num_heavy_atoms:	50
TPSA:	142.5	NumAromaticRings:	0