GD138199

Name:

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

Formula:

C50H80O24

Smiles:

CC(=O)C1CCC2C3CC(OC4OC(C)C(O)C(OC5OCC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4O)C4CC(O)CCC4(C)C3=CCC12C

Aglycone:

CC(=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0282719

AD55804

Formula: C21H32O3

Smiles:

CC(=O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3=CCC12C

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