GD140765

Name:

16'-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-12',15',18'-triol

Formula:

C45H74O20

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5(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(O)CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CCC5(O)CC(O)C(O)CC5(C)C4(O)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

• CNP0391004

AD45687

Formula: C27H44O6

Smiles:

CC1CCC2(OC1)OC1CC3C4CCC5(O)CC(O)C(O)CC5(C)C4(O)CCC3(C)C1C2C

HBA:	6	RingCount:	6
HBD:	4	FractionCSP3:	1.0
AlogP:	2.99	Num_rotatable_bonds:	0
MolWt:	464.64	Num_heavy_atoms:	33
TPSA:	99.38	NumAromaticRings:	0