GD009090

Name:

16'-[(3,4-dihydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-14'-yl acetate

Formula:

C52H82O25

Smiles:

CC(=O)O[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](O)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)CC2=CC[C@@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@H](C)CO6)[C@H](C)[C@H]5[C@@]4(C)CC[C@H]3[C@]21C

Aglycone:

CC(=O)OC1CC(O)CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C21C

Sugarmoiety:

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL499934
• CNP0077451

AD07170

Formula: C29H44O5

Smiles:

CC(=O)OC1CC(O)CC2=CCC3C4CC5OC6(CCC(C)CO6)C(C)C5C4(C)CCC3C21C

HBA:	5	RingCount:	6
HBD:	1	FractionCSP3:	0.9
AlogP:	5.26	Num_rotatable_bonds:	1
MolWt:	472.67	Num_heavy_atoms:	34
TPSA:	64.99	NumAromaticRings:	0