GD121069

Name:

2-{[3-hydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-1'(20'),11'-diene-15',18'-dioloxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C45H70O19

Smiles:

CC1CCC2(OC1)OC1CC3C4=CCC5(O)CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4=CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4=CCC5(O)CC(O)C(O)CC5(C)C4=CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0306986

AD48700

Formula: C27H40O5

Smiles:

CC1CCC2(OC1)OC1CC3C4=CCC5(O)CC(O)C(O)CC5(C)C4=CCC3(C)C1C2C

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.85
AlogP:	3.72	Num_rotatable_bonds:	0
MolWt:	444.61	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0