GD146800

Name:

Verticilloside I

Formula:

C55H90O24

Smiles:

COC1CC(OC2CCC3(C)C(=CCC4(O)C3CC(O)C3(C)C(O)(C(C)=O)CCC43O)C2)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Aglycone:

CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

Sugarmoiety:

COC1CC(O)OC(C)C1OC1CC(OC)C(OC2CC(OC)C(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3O)C(C)O2)C(C)O1

Other Identifiers

• CNP0366687

AD18254

Formula: C21H32O6

Smiles:

CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(O)C12C

HBA:	6	RingCount:	4
HBD:	5	FractionCSP3:	0.86
AlogP:	0.83	Num_rotatable_bonds:	1
MolWt:	380.48	Num_heavy_atoms:	27
TPSA:	118.22	NumAromaticRings:	0