GD145349

Name:

2-[(6-{[7,15-dihydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butylidene)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan-16-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C51H84O23

Smiles:

CC(CC=C1OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(O)CC5(C)C4CCC3(C)C2C1(C)O)COC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(CO)CC=C1OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C2C1(C)O

Sugarmoiety:

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

Other Identifiers

• CNP0269428

AD58355

Formula: C27H44O5

Smiles:

CC(CO)CC=C1OC2CC3C4CCC5CC(O)C(O)CC5(C)C4CCC3(C)C2C1(C)O

HBA:	5	RingCount:	5
HBD:	4	FractionCSP3:	0.93
AlogP:	3.64	Num_rotatable_bonds:	3
MolWt:	448.64	Num_heavy_atoms:	32
TPSA:	90.15	NumAromaticRings:	0