GD015410

Name:

COSMOSPORASIDE C

Formula:

C34H60O15

Smiles:

CC(=O)O[C@H](C[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@](C)(O)CCC=C(C)C)C(C)=CCO[C@H]([C@H](O)COCC=C(C)C)[C@H](O)[C@H](O)CO

Aglycone:

CC=C(C)C.CC=C(C)C(CC(O)C(C)(O)CCC=C(C)C)OC(C)=O

Sugarmoiety:

OCC(O)C(O)C(OO)C(O)COO.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1813876
• CNP0246459

AD02143

Formula: C17H30O4

Smiles:

CC=C(C)C(CC(O)C(C)(O)CCC=C(C)C)OC(C)=O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.71
AlogP:	3.13	Num_rotatable_bonds:	8
MolWt:	298.42	Num_heavy_atoms:	21
TPSA:	66.76	NumAromaticRings:	0

AD11199

Formula: C5H10

Smiles:

CC=C(C)C

HBA:	0	RingCount:	0
HBD:	0	FractionCSP3:	0.6
AlogP:	1.97	Num_rotatable_bonds:	0
MolWt:	70.13	Num_heavy_atoms:	5
TPSA:	0.0	NumAromaticRings:	0