GD116851

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-dimethyl-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:

C47H72O20

Smiles:

C=C(C)C1CCC2(C)C3C(CC4C5C(C(=C)C)CC(O)C5(C(=O)OC5OC(COC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)C(O)C(O)C5O)CCC42C)OC(=O)CC(O)C13

Aglycone:

C=C(C)C1CCC2(C)C3C(CC4C5C(C(=C)C)CC(O)C5(C(=O)O)CCC42C)OC(=O)CC(O)C13

Sugarmoiety:

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

Other Identifiers

• CNP0334675

AD46489

Formula: C29H42O6

Smiles:

C=C(C)C1CCC2(C)C3C(CC4C5C(C(=C)C)CC(O)C5(C(=O)O)CCC42C)OC(=O)CC(O)C13

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.79
AlogP:	4.35	Num_rotatable_bonds:	3
MolWt:	486.65	Num_heavy_atoms:	35
TPSA:	104.06	NumAromaticRings:	0