GD034089

Name:

ALBINOSIDE III

Formula:

C56H92O25

Smiles:

CC=C(C)C(=O)O[C@H]1[C@H](O[C@@H]2[C@H]3OC(=O)CCCCCCCCC[C@@H](CCCCC)O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]4O[C@H]2O[C@@H](CO[C@H]2O[C@@H](C)[C@@H](O)[C@@H](OC(=O)C(C)=CC)[C@@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H]3O)O[C@H](C)[C@H](O)[C@@H]1O

Aglycone:

CC=C(C)C(=O)O.CC=C(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(C)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2146620
• CNP0145668

AD00342

Formula: C5H8O2

Smiles:

CC=C(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.4
AlogP:	1.04	Num_rotatable_bonds:	1
MolWt:	100.12	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD01253

Formula: C28H50O11

Smiles:

CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(CO)OC(OC3C(O1)OC(C)C(O)C3O)C2O

HBA:	11	RingCount:	3
HBD:	5	FractionCSP3:	0.96
AlogP:	1.68	Num_rotatable_bonds:	5
MolWt:	562.7	Num_heavy_atoms:	39
TPSA:	164.37	NumAromaticRings:	0