GD143814

Name:

None

Formula:

C51H80O23

Smiles:

CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(OC(=O)CC(=O)O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:

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

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0465285

AD00478

Formula: C30H48O5

Smiles:

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

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.9
AlogP:	5.18	Num_rotatable_bonds:	2
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	97.99	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