GD153769

Name:

Scillasaponin G

Formula:

C63H100O32

Smiles:

CC1OC(OC2C(OC3C(OCC4OC(OC5CCC6(C)C7=C(CCC6C5(C)CO)C5(C)CCC6(OC8(CC6C)OC(=O)C(C)C8O)C5(C)CC7)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C(=O)OC2(CC(C)C3(CCC4(C)C5=C(CCC43C)C3(C)CCC(O)C(C)(CO)C3CC5)O2)C1O

Sugarmoiety:

CC1OC(OC2C(OC3C(OCC4OC(O)C(O)C(O)C4O)OCC(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0285769

AD45999

Formula: C30H46O6

Smiles:

CC1C(=O)OC2(CC(C)C3(CCC4(C)C5=C(CCC43C)C3(C)CCC(O)C(C)(CO)C3CC5)O2)C1O

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.9
AlogP:	4.5	Num_rotatable_bonds:	1
MolWt:	502.69	Num_heavy_atoms:	36
TPSA:	96.22	NumAromaticRings:	0