GD151842

Name:

2-[(2-{[3,5-dihydroxy-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}oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C45H70O19

Smiles:

CC1CCC2(OC1)OC1CC3C4=CCC5(O)CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)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(OC3C(O)C(O)OC(CO)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0314504

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