GD110045

Name:

3a,5a-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-10-yl acetate

Formula:

C37H52O14

Smiles:

CC(=O)O[C@H]1[C@H](C)O[C@H](O[C@H]2CC[C@]3(C)[C@H]4[C@H](OC(C)=O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(=O)OC1CC2(C)C(C3=CC(=O)OC3)CCC2(O)C2CCC3(O)CC(O)CCC3(C)C12

Sugarmoiety:

CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000085902218
• CNP0161737

AD44598

Formula: C25H36O7

Smiles:

CC(=O)OC1CC2(C)C(C3=CC(=O)OC3)CCC2(O)C2CCC3(O)CC(O)CCC3(C)C12

HBA:	7	RingCount:	5
HBD:	3	FractionCSP3:	0.84
AlogP:	2.26	Num_rotatable_bonds:	2
MolWt:	448.56	Num_heavy_atoms:	32
TPSA:	113.29	NumAromaticRings:	0