GD119075

Name:

Sandrosaponin Iv

Formula:

C48H76O24S

Smiles:

CC1OC(OC2CCC3(C)C(CCC4(C)C3C=CC35OCC6(CCC(CO)(C(=O)O)CC63)C(O)CC45C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(OS(=O)(=O)O)C(O)C2O)C1O

Aglycone:

CC1(CO)C(O)CCC2(C)C1CCC1(C)C2C=CC23OCC4(CCC(CO)(C(=O)O)CC42)C(O)CC13C.O=S(=O)(O)O

Sugarmoiety:

CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0140164

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD47666

Formula: C30H46O7

Smiles:

CC1(CO)C(O)CCC2(C)C1CCC1(C)C2C=CC23OCC4(CCC(CO)(C(=O)O)CC42)C(O)CC13C

HBA:	7	RingCount:	6
HBD:	5	FractionCSP3:	0.9
AlogP:	3.14	Num_rotatable_bonds:	3
MolWt:	518.69	Num_heavy_atoms:	37
TPSA:	127.45	NumAromaticRings:	0