GD133269

Name:

4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5,7',9',13'-tetramethyl-15'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]-16',18',19'-triol

Formula:

C45H74O22

Smiles:

CC1COC2(CC1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)OC1CC3C4CC(O)C5(O)CC(O)C(OC6OC(CO)C(O)C(O)C6O)CC5(C)C4CCC3(C)C1C2C

Aglycone:

CC1COC2(CC1O)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0155315

AD53945

Formula: C27H44O7

Smiles:

CC1COC2(CC1O)OC1CC3C4CC(O)C5(O)CC(O)C(O)CC5(C)C4CCC3(C)C1C2C

HBA:	7	RingCount:	6
HBD:	5	FractionCSP3:	1.0
AlogP:	1.82	Num_rotatable_bonds:	0
MolWt:	480.64	Num_heavy_atoms:	34
TPSA:	119.61	NumAromaticRings:	0