GD014340

Name:

Avermectin B2A

Formula:

C48H74O15

Smiles:

CC[C@H](C)[C@@H]1O[C@]2(C[C@@H]3C[C@H](CC=C(C)[C@H](O[C@@H]4C[C@H](OC)C(O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@H]1C

Aglycone:

CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C

Sugarmoiety:

COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O

Other Identifiers

• CHEMBL406477
• CHEMBL408860
• CNP0195652

AD08649

Formula: C34H50O9

Smiles:

CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(O)C1C

HBA:	9	RingCount:	5
HBD:	4	FractionCSP3:	0.74
AlogP:	3.5	Num_rotatable_bonds:	2
MolWt:	602.77	Num_heavy_atoms:	43
TPSA:	134.91	NumAromaticRings:	0