GD021926

Name:

6-({[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 6,16-dihydroxy-1,2,17-trimethyl-14-oxo-8,18-bis(prop-1-en-2-yl)-13-oxapentacyclo[10.8.1.0²,¹⁰.0⁵,⁹.0¹⁷,²¹]henicosane-5-carboxylate

Formula:

C48H74O20

Smiles:

C=C(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@H](C[C@@H]4[C@@H]5[C@H](C(=C)C)C[C@H](O)[C@@]5(C(=O)O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H](O)[C@H]5O)CC[C@]42C)OC(=O)C[C@H](O)[C@]13C

Aglycone:

C=C(C)C1CC(O)C2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)C)CCC3(C)C45)C12

Sugarmoiety:

CC1OC(OC2C(CO)OC(OCC3OC(O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2063166
• CNP0223188

AD03937

Formula: C30H44O6

Smiles:

C=C(C)C1CC(O)C2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)C)CCC3(C)C45)C12

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.8
AlogP:	4.74	Num_rotatable_bonds:	3
MolWt:	500.68	Num_heavy_atoms:	36
TPSA:	104.06	NumAromaticRings:	0