GD136406

Name:

6-(1-hydroxy-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-16-[(4-hydroxy-5-{[5-hydroxy-6-(hydroxymethyl)-3,4-bis[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)oxy]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-10-one

Formula:

C61H98O32

Smiles:

CC1=C(C(O)CC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C12

Aglycone:

CC1=C(C(O)CC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C12

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(CO)C(O)C(OC4OCC(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0139634

AD55139

Formula: C27H42O5

Smiles:

CC1=C(C(O)CC(C)CO)OC2CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C12

HBA:	5	RingCount:	5
HBD:	3	FractionCSP3:	0.89
AlogP:	3.85	Num_rotatable_bonds:	4
MolWt:	446.63	Num_heavy_atoms:	32
TPSA:	86.99	NumAromaticRings:	0