GD122337

Name:

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

Formula:

C46H70O18

Smiles:

C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(OC6OCC(OC(C)=O)C(O)C6OC6OC(C)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C5(C)C4CCC3(C)C1C2C

Aglycone:

C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC(=O)OC1COC(O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O

Other Identifiers

• CNP0224326

AD05472

Formula: C27H40O4

Smiles:

C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.85
AlogP:	4.6	Num_rotatable_bonds:	0
MolWt:	428.61	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0