GD140661

Name:

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

Formula:

C53H78O16

Smiles:

CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC4(C)C3(C)CC(OC(C)=O)C12COC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC4(C)C3(C)CC(OC(C)=O)C12CO.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0109765

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

AD56711

Formula: C39H60O7

Smiles:

CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC4(C)C3(C)CC(OC(C)=O)C12CO

HBA:	7	RingCount:	5
HBD:	1	FractionCSP3:	0.82
AlogP:	7.74	Num_rotatable_bonds:	5
MolWt:	640.9	Num_heavy_atoms:	46
TPSA:	99.13	NumAromaticRings:	0