GD121594

Name:

2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2',15'-dioloxy]oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C50H82O25

Smiles:

CC1C2C(CC3(O)C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(O)CC5(C)C4CCC23C)OC12CCC(CO)CO2

Aglycone:

CC1C2C(CC3(O)C4CCC5CC(O)C(O)CC5(C)C4CCC23C)OC12CCC(CO)CO2

Sugarmoiety:

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

Other Identifiers

• CNP0141454

AD48958

Formula: C27H44O6

Smiles:

CC1C2C(CC3(O)C4CCC5CC(O)C(O)CC5(C)C4CCC23C)OC12CCC(CO)CO2

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	1.0
AlogP:	2.85	Num_rotatable_bonds:	1
MolWt:	464.64	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0