GD143591

Name:

tetrapteroside b

Formula:

C70H106O32

Smiles:

COc1cc(C=CC(=O)OCC2OC(OC3C(OC4C(O)C(CO)OC(OC5C(CO)OC(OC6CCC7(C)C(CCC8(C)C7CC=C7C9CC(C)(C)CCC9(C(=O)O)CCC78CO)C6(C)C)C(OC6OC(CO)C(O)C(O)C6O)C5O)C4O)OC(CO)C(O)C3O)C(O)C(O)C2O)ccc1O

Aglycone:

CC1(C)CCC2(C(=O)O)CCC3(CO)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1.COC(=O)C=Cc1ccc(O)c(OC)c1

Sugarmoiety:

OCC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(O)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0465035

AD00132

Formula: C11H12O4

Smiles:

COC(=O)C=Cc1ccc(O)c(OC)c1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.18
AlogP:	1.59	Num_rotatable_bonds:	3
MolWt:	208.21	Num_heavy_atoms:	15
TPSA:	55.76	NumAromaticRings:	1

AD45051

Formula: C30H48O4

Smiles:

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

HBA:	4	RingCount:	5
HBD:	3	FractionCSP3:	0.9
AlogP:	6.21	Num_rotatable_bonds:	2
MolWt:	472.71	Num_heavy_atoms:	34
TPSA:	77.76	NumAromaticRings:	0