GD117043

Name:

4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl 10,11-bis(acetyloxy)-2-(hydroxymethyl)-2,6a,6b,9,9,12a-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:

C46H72O16

Smiles:

CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(CO)CCC4(C(=O)OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)CCC23C)C(C)(C)C1OC(C)=O

Aglycone:

CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(CO)CCC4(C(=O)O)CCC23C)C(C)(C)C1OC(C)=O

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0168844

AD46598

Formula: C34H52O7

Smiles:

CC(=O)OC1CC2(C)C(CCC3(C)C2CC=C2C4CC(C)(CO)CCC4(C(=O)O)CCC23C)C(C)(C)C1OC(C)=O

HBA:	7	RingCount:	5
HBD:	2	FractionCSP3:	0.85
AlogP:	6.32	Num_rotatable_bonds:	4
MolWt:	572.78	Num_heavy_atoms:	41
TPSA:	110.13	NumAromaticRings:	0