GD138155

Name:

2-[(6-{[4,5-dihydroxy-6-(hydroxymethyl)-2-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxan-3-yl]oxy}-4,5-dihydroxyoxan-3-yl)oxy]-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol

Formula:

C49H80O22

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(OC6OC(CO)C(O)C(O)C6OC6OCC(OC7OC(OC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(OC2OC(OC3COC(OC4C(O)OC(CO)C(O)C4O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0227565

AD01572

Formula: C27H44O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	1.0
AlogP:	5.79	Num_rotatable_bonds:	0
MolWt:	416.65	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0