GD116203

Name:

3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl 10,11-bis(acetyloxy)-9-[(acetyloxy)methyl]-1,8-dihydroxy-2,2,6a,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:

C50H72O19

Smiles:

CC(=O)OCC1OC(OC(=O)C23CCC(C)(C)C(O)C2C2=CCC4C5(C)CC(OC(C)=O)C(OC(C)=O)C(C)(COC(C)=O)C5C(O)CC4(C)C2(C)CC3)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)OCC1(C)C(OC(C)=O)C(OC(C)=O)CC2(C)C1C(O)CC1(C)C2CC=C2C3C(O)C(C)(C)CCC3(C(=O)O)CCC21C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CNP0358264

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

AD46105

Formula: C36H54O10

Smiles:

CC(=O)OCC1(C)C(OC(C)=O)C(OC(C)=O)CC2(C)C1C(O)CC1(C)C2CC=C2C3C(O)C(C)(C)CCC3(C(=O)O)CCC21C

HBA:	10	RingCount:	5
HBD:	3	FractionCSP3:	0.83
AlogP:	4.83	Num_rotatable_bonds:	5
MolWt:	646.82	Num_heavy_atoms:	46
TPSA:	156.66	NumAromaticRings:	0