GD146459

Name:

6-{[6-carboxy-2-({2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.2.1.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴]tetracos-17-en-11-yl}oxy)-4,5-dihydroxyoxan-3-yl]oxy}-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:

C48H70O20

Smiles:

CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5C(=O)C=C5C7CC8(C)CC(OC8=O)C7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2

Sugarmoiety:

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0076776

AD11415

Formula: C30H44O4

Smiles:

CC12CC(OC1=O)C1(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C1C2

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.87
AlogP:	5.86	Num_rotatable_bonds:	0
MolWt:	468.68	Num_heavy_atoms:	34
TPSA:	63.6	NumAromaticRings:	0