GD148793

Name:

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

Formula:

C48H72O14

Smiles:

CC(=O)OCC1OC(OC2CC(C)(C)CC3C4=CCC5C6(C)CCC(OC(C)=O)C(C)(COC(C)=O)C6CCC5(C)C4(C)CCC23C)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=C2C3CC(C)(C)CC(O)C3(C)CCC21C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0358270

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

AD59524

Formula: C34H54O5

Smiles:

CC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(C)CC(O)C3(C)CCC21C

HBA:	5	RingCount:	5
HBD:	1	FractionCSP3:	0.88
AlogP:	7.25	Num_rotatable_bonds:	3
MolWt:	542.8	Num_heavy_atoms:	39
TPSA:	72.83	NumAromaticRings:	0