GD020568

Name:

3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl 16-hydroxy-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:

C42H64O15

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)CC[C@@]5(C(=O)O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@H](O)[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)C1CCC2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)C)CCC3(C)C45)C12

Sugarmoiety:

OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2063165
• CNP0238257

AD14188

Formula: C30H44O5

Smiles:

C=C(C)C1CCC2(C(=O)O)CCC3(C)C(CC4OC(=O)CC(O)C5(C)C(C(=C)C)CCC3(C)C45)C12

HBA:	5	RingCount:	5
HBD:	2	FractionCSP3:	0.8
AlogP:	5.77	Num_rotatable_bonds:	3
MolWt:	484.68	Num_heavy_atoms:	35
TPSA:	83.83	NumAromaticRings:	0