GD141475

Name:

Phyloside A

Formula:

C82H130O45

Smiles:

CC1OC(OCC2OC(OC3C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(C(=O)O)C(OC9OC(CO)C(O)C(O)C9O)C(OC9OC(CO)C(O)C(O)C9OC9OCC(O)C(O)C9O)C8OC8OCC(O)C(O)C8O)C(C)(C=O)C7CCC6(C)C4(C)CC5)OC(C)C(O)C3O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

Sugarmoiety:

CC1OC(OCC2OC(OC3C(O)OC(C)C(O)C3O)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0310411

AD03275

Formula: C30H46O4

Smiles:

CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2C1

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.87
AlogP:	6.41	Num_rotatable_bonds:	2
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	74.6	NumAromaticRings:	0