GD017747

Name:

6-(5,5-dimethyloxolan-2-yl)-5,10-dihydroxy-16-[(4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-2,6,13,17,17-pentamethyl-7-oxapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-11-en-8-one

Formula:

C47H74O19

Smiles:

C[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CC[C@]4(C)C5=C[C@H](O)C67C(=O)O[C@](C)(C8CCC(C)(C)O8)[C@@]6(O)CC[C@@]7(C)C5CCC4C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1

Sugarmoiety:

CC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2367888
• CNP0405988

AD03787

Formula: C30H46O6

Smiles:

CC1(C)CCC(C2(C)OC(=O)C34C(O)C=C5C(CCC6C5(C)CCC(O)C6(C)C)C3(C)CCC24O)O1

HBA:	6	RingCount:	6
HBD:	3	FractionCSP3:	0.9
AlogP:	4.29	Num_rotatable_bonds:	1
MolWt:	502.69	Num_heavy_atoms:	36
TPSA:	96.22	NumAromaticRings:	0