GD118259

Name:

1-ethyl-3a-hydroxy-7-{[5-({5-[(4-hydroxy-5-{[6-(hydroxymethyl)-4-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-3-one

Formula:

C54H88O21

Smiles:

CCC1CC(=O)C2(O)C3CC=C4CC(OC5CC(OC)C(OC6CC(OC)C(OC7CC(O)C(OC8CC(OC)C(OC9OC(CO)C(O)C(O)C9O)C(CO)O8)C(C)O7)C(C)O6)C(C)O5)CCC4(C)C3CCC12C

Aglycone:

CCC1CC(=O)C2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(O)C(OC3CC(OC)C(OC4OC(CO)C(O)C(O)C4O)C(CO)O3)C(C)O2)C(C)O1

Other Identifiers

• CNP0075468

AD47269

Formula: C21H32O3

Smiles:

CCC1CC(=O)C2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.86
AlogP:	3.63	Num_rotatable_bonds:	1
MolWt:	332.48	Num_heavy_atoms:	24
TPSA:	57.53	NumAromaticRings:	0