GD138638

Name:

3-hydroxy-5-[(16'-{[4-hydroxy-6-(hydroxymethyl)-5-{[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7',9',13'-trimethyl-5'-oxaspiro[oxolane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-5-yl)methoxy]-3-methyl-5-oxopentanoic acid

Formula:

C50H78O22

Smiles:

CC1OC(OC2C(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC6(CCC(COC(=O)CC(C)(O)CC(=O)O)O6)C(C)C54)C3)OC(CO)C(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(COC(=O)CC(C)(O)CC(=O)O)O2

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3C(O)OC(CO)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0089773

AD55943

Formula: C32H48O8

Smiles:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)OC12CCC(COC(=O)CC(C)(O)CC(=O)O)O2

HBA:	8	RingCount:	6
HBD:	3	FractionCSP3:	0.88
AlogP:	4.61	Num_rotatable_bonds:	6
MolWt:	560.73	Num_heavy_atoms:	40
TPSA:	122.52	NumAromaticRings:	0