GD150455

Name:

1-(2-{[6-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-({5-[(5-hydroxy-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-1-yl)ethan-1-one

Formula:

C53H86O24

Smiles:

COC1CC(OC2C(C)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC(OC5OC(COC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C4C(C)=O)C3)CC2OC)OC(C)C1O

Aglycone:

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

Sugarmoiety:

COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O.OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0124455

AD50848

Formula: C21H32O3

Smiles:

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

HBA:	3	RingCount:	4
HBD:	2	FractionCSP3:	0.86
AlogP:	3.49	Num_rotatable_bonds:	1
MolWt:	332.48	Num_heavy_atoms:	24
TPSA:	57.53	NumAromaticRings:	0