GD110178

Name:

7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate

Formula:

C32H48O10

Smiles:

CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@H](C5=CC(=O)OC5)[C@H](OC(C)=O)C[C@]43O)C2)[C@@H]1O

Aglycone:

CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1

Sugarmoiety:

COC1C(O)C(C)OC(O)C1O

Other Identifiers

• ZINC000257347133
• CNP0157847

AD01727

Formula: C25H36O6

Smiles:

CC(=O)OC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1

HBA:	6	RingCount:	5
HBD:	2	FractionCSP3:	0.84
AlogP:	3.15	Num_rotatable_bonds:	2
MolWt:	432.56	Num_heavy_atoms:	31
TPSA:	93.06	NumAromaticRings:	0