GD139826

Name:

3-(acetyloxy)-2-{[1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-8-hydroxy-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyloxan-4-yl acetate

Formula:

C40H58O13

Smiles:

CC(=O)OC1C(OC2CC3(C)C4CC=C5C(CC(O)C(=O)C5(C)C)C4(C)C(=O)CC3(C)C2C(C)(O)C(=O)C=CC(C)(C)O)OC(C)C(O)C1OC(C)=O

Aglycone:

CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C

Sugarmoiety:

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

Other Identifiers

• CNP0102538

AD04524

Formula: C30H44O7

Smiles:

CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C

HBA:	7	RingCount:	4
HBD:	4	FractionCSP3:	0.77
AlogP:	2.93	Num_rotatable_bonds:	4
MolWt:	516.68	Num_heavy_atoms:	37
TPSA:	132.13	NumAromaticRings:	0