GD124344

Name:

2-({5-hydroxy-2-[1-(2-hydroxy-7-{[4-hydroxy-5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-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-1-yl)ethoxy]-4-methoxy-6-methyloxan-3-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C54H90O21

Smiles:

COC1CC(OC2C(C)OC(OC3C(O)CC(OC4CCC5(C)C(=CCC6C5CCC5(C)C6CC(O)C5C(C)OC5OC(C)C(O)C(OC)C5OC5OC(CO)C(O)C(O)C5O)C4)OC3C)CC2OC)OC(C)C1O

Aglycone:

CC(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Sugarmoiety:

COC1C(O)C(C)OC(O)C1OC1OC(CO)C(O)C(O)C1O.COC1CC(OC2C(C)OC(OC3C(O)CC(O)OC3C)CC2OC)OC(C)C1O

Other Identifiers

• CNP0234700

AD46948

Formula: C21H34O3

Smiles:

CC(O)C1C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C

HBA:	3	RingCount:	4
HBD:	3	FractionCSP3:	0.9
AlogP:	3.28	Num_rotatable_bonds:	1
MolWt:	334.5	Num_heavy_atoms:	24
TPSA:	60.69	NumAromaticRings:	0