GD017419

Name:

Phrygioside B

Formula:

C33H58O12S

Smiles:

CO[C@H]1[C@H](O)[C@@H](O[C@H](CC[C@H](C)[C@@H]2C[C@H](O)[C@H]3[C@@]2(C)CC[C@H]2[C@@]3(O)C[C@H](O)[C@@H]3C[C@H](O)CC[C@]32C)C(C)C)OC[C@H]1OS(=O)(=O)O

Aglycone:

CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O.O=S(=O)(O)O

Sugarmoiety:

COC1C(O)COC(O)C1O

Other Identifiers

• CHEMBL1207833
• CNP0204154

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

AD04465

Formula: C27H48O5

Smiles:

CC(C)C(O)CCC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O

HBA:	5	RingCount:	4
HBD:	5	FractionCSP3:	1.0
AlogP:	3.5	Num_rotatable_bonds:	5
MolWt:	452.68	Num_heavy_atoms:	32
TPSA:	101.15	NumAromaticRings:	0