GD128185

Name:

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

Formula:

C53H88O25

Smiles:

COC1CC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)O)CCC43O)C2)OC(C)C1OC1OC(C)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(OC)C1O

Aglycone:

CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1OC(C)C(OC2OC(COC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(OC)C1O

Other Identifiers

• CNP0296725

AD46291

Formula: C21H34O3

Smiles:

CC(O)C1CCC2(O)C3CC=C4CC(O)CCC4(C)C3CCC12C

HBA:	3	RingCount:	4
HBD:	3	FractionCSP3:	0.9
AlogP:	3.42	Num_rotatable_bonds:	1
MolWt:	334.5	Num_heavy_atoms:	24
TPSA:	60.69	NumAromaticRings:	0