GD133574

Name:

14'-({3-[(4-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-3,16'-dihydroxy-7'-(hydroxymethyl)-5,13'-dimethyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-2'(9'),18'-dien-3'-one

Formula:

C53H80O28

Smiles:

CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(OC6OCC(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(C)C(O)C(OC7OCC(O)(CO)C7O)C6O)C45C)C3C2CO)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2CO)C(O)C1O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(OC2OCC(O)(CO)C2O)C1O

Other Identifiers

• CNP0419907

AD48038

Formula: C26H36O8

Smiles:

CC1COC2(OC3C(=O)C4=C(CCC5C4CC=C4CC(O)CC(O)C45C)C3C2CO)C(O)C1O

HBA:	8	RingCount:	6
HBD:	5	FractionCSP3:	0.81
AlogP:	0.45	Num_rotatable_bonds:	1
MolWt:	476.57	Num_heavy_atoms:	34
TPSA:	136.68	NumAromaticRings:	0