GD137342

Name:

{7-[(4-hydroxy-5-{[5-({5-[(3-hydroxy-4-methoxy-6-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,¹⁹]henicos-4-en-10-yl}methyl acetate

Formula:

C56H88O24

Smiles:

COC1CC(OC2C(O)CC(OC3CCC4(COC(C)=O)C(=CCC5C4CCC4(C)C6C7COC6(C)OC54O7)C3)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Aglycone:

CC(=O)OCC12CCC(O)CC1=CCC1C2CCC2(C)C3C4COC3(C)OC12O4

Sugarmoiety:

COC1CC(OC2C(O)CC(O)OC2C)OC(C)C1OC1CC(OC)C(OC2OC(C)C(OC3OC(CO)C(O)C(O)C3O)C(OC)C2O)C(C)O1

Other Identifiers

• CNP0381044

AD15973

Formula: C23H32O6

Smiles:

CC(=O)OCC12CCC(O)CC1=CCC1C2CCC2(C)C3C4COC3(C)OC12O4

HBA:	6	RingCount:	6
HBD:	1	FractionCSP3:	0.87
AlogP:	2.93	Num_rotatable_bonds:	2
MolWt:	404.5	Num_heavy_atoms:	29
TPSA:	74.22	NumAromaticRings:	0