GD138930

Name:

16'-[(3,4-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-5-(hydroxymethyl)-7',9',13'-trimethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-19'-one

Formula:

C44H70O19

Smiles:

CC1C2C(CC3C4CC(=O)C5CC(OC6OC(COC7OCC(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2

Aglycone:

CC1C2C(CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2

Sugarmoiety:

OCC1OC(OC2C(COC3OCC(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0270434

AD50930

Formula: C27H42O5

Smiles:

CC1C2C(CC3C4CC(=O)C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2

HBA:	5	RingCount:	6
HBD:	2	FractionCSP3:	0.96
AlogP:	3.95	Num_rotatable_bonds:	1
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	75.99	NumAromaticRings:	0