GD121790

Name:

7-{5a,5b,8,8,9,11a,13b-heptamethyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,7aH,8H,9H,10H,11H,11aH,11bH,13aH,13bH-cyclopenta[a]chrysen-3-yl}-1,2,3-tris(acetyloxy)octan-4-yl acetate

Formula:

C44H68O8

Smiles:

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(CCC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3C=CC21C)OC(C)=O

Aglycone:

CCC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3C=CC21C

Sugarmoiety:

CC(=O)OCC(OC(C)=O)C(OC(C)=O)C(O)OC(C)=O

Other Identifiers

• CNP0175769

AD49041

Formula: C32H52

Smiles:

CCC(C)C1CCC2(C)C1CCC1(C)C2C=CC2C3(C)CCC(C)C(C)(C)C3C=CC21C

HBA:	0	RingCount:	5
HBD:	0	FractionCSP3:	0.88
AlogP:	9.32	Num_rotatable_bonds:	2
MolWt:	436.77	Num_heavy_atoms:	32
TPSA:	0.0	NumAromaticRings:	0