GD030034

Name:

10-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5,9,9,13,20-hexamethyl-2-oxo-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosane-20-carbaldehyde

Formula:

C52H82O21

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](O[C@@H]3CO[C@H](O[C@@H]4CC[C@]5(C)[C@H](CC[C@]6(C)[C@H]5CC[C@]57OC[C@@]8(CC[C@@](C)(C=O)C[C@H]85)C(=O)C[C@]76C)C4(C)C)[C@H](O)[C@H]3O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1

Sugarmoiety:

CC1OC(OC2C(O)C(CO)OC(OC3COC(O)C(O)C3O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2442988
• CNP0287281

AD04538

Formula: C30H46O4

Smiles:

CC1(C=O)CCC23COC4(CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CC2=O)C3C1

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.74	Num_rotatable_bonds:	1
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	63.6	NumAromaticRings:	0