GD148533

Name:

None

Formula:

C51H80O21

Smiles:

CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(C)CC(O)C7(C)CCC56C)C4(C)CO)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OC(=O)CC(=O)O

Aglycone:

CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1.O=C(O)CC(=O)O

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0469659

AD00828

Formula: C30H50O3

Smiles:

CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

HBA:	3	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	6.11	Num_rotatable_bonds:	1
MolWt:	458.73	Num_heavy_atoms:	33
TPSA:	60.69	NumAromaticRings:	0

AD13454

Formula: C3H4O4

Smiles:

O=C(O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.33
AlogP:	-0.45	Num_rotatable_bonds:	2
MolWt:	104.06	Num_heavy_atoms:	7
TPSA:	74.6	NumAromaticRings:	0