GD151290

Name:

16'-({5-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-15'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-11'-en-10'-one

Formula:

C55H86O28

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C(O)C6O)C(O)CC5(C)C4=CC(=O)C3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)CC5(C)C4=CC(=O)C3(C)C1C2C

Sugarmoiety:

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(CO)C(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CNP0204473

AD48261

Formula: C27H40O5

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)C(O)CC5(C)C4=CC(=O)C3(C)C1C2C

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.89
AlogP:	3.86	Num_rotatable_bonds:	0
MolWt:	444.61	Num_heavy_atoms:	32
TPSA:	75.99	NumAromaticRings:	0