GD011645

Name:

ORIZABIN VIII

Formula:

C50H86O22

Smiles:

CCCCC[C@@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H](O[C@@H]3O[C@H](C)[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3OC(=O)[C@H](C)CC)[C@H](O[C@H](COC(=O)[C@H](C)[C@H](C)O)[C@H]2O)O[C@H]2[C@@H](O[C@@H](C)[C@@H](O)[C@H]2O)O1

Aglycone:

CCC(C)C(=O)O.CCCCCC1CCCCCCCCCC(=O)OC2C(O)C(COC(=O)C(C)C(C)O)OC(OC3C(O1)OC(C)C(O)C3O)C2O

Sugarmoiety:

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

Other Identifiers

• CHEMBL500529
• CNP0332777

AD00363

Formula: C5H10O2

Smiles:

CCC(C)C(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD08874

Formula: C33H58O13

Smiles:

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

HBA:	13	RingCount:	3
HBD:	5	FractionCSP3:	0.94
AlogP:	2.25	Num_rotatable_bonds:	8
MolWt:	662.81	Num_heavy_atoms:	46
TPSA:	190.67	NumAromaticRings:	0