GD129699

Name:

Periplocoside E

Formula:

C65H106O24

Smiles:

COC1CC(OC2C(C)OC3(COC4CC(OC(C)C5(O)CCC6C7CC=C8CC(O)CCC8(C)C7CCC65C)OC(C)C4OO3)CC2OC)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1

Aglycone:

COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1O

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(O)C(OC)C3OC(C)=O)C(C)O2)C(C)O1

Other Identifiers

• CNP0235794

AD46009

Formula: C35H56O10

Smiles:

COC1CC2(COC3CC(OC(C)C4(O)CCC5C6CC=C7CC(O)CCC7(C)C6CCC54C)OC(C)C3OO2)OC(C)C1O

HBA:	10	RingCount:	7
HBD:	3	FractionCSP3:	0.94
AlogP:	4.18	Num_rotatable_bonds:	4
MolWt:	636.82	Num_heavy_atoms:	45
TPSA:	125.3	NumAromaticRings:	0