GD156848

Name:

2-[(2-{[6-(2,3-dimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-6-hydroxy-7,9,13-trimethylpentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C47H78O17

Smiles:

CC(COC1OC(CO)C(O)C(O)C1O)C(C)CC1(O)CC2CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C

Aglycone:

CC(CO)C(C)CC1(O)CC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C

Sugarmoiety:

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

Other Identifiers

• CNP0289492

AD62064

Formula: C29H48O3

Smiles:

CC(CO)C(C)CC1(O)CC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C

HBA:	3	RingCount:	5
HBD:	3	FractionCSP3:	0.93
AlogP:	5.58	Num_rotatable_bonds:	4
MolWt:	444.7	Num_heavy_atoms:	32
TPSA:	60.69	NumAromaticRings:	0