GD130527

Name:

2-[(6-{[6,8-dihydroxy-6-(3-hydroxy-3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-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:

C51H84O24

Smiles:

CC1OC(OC2C(CO)OC(OC3CCC4(C)C(=CCC5C4CCC4(C)C5CC5OC(O)(CCC(C)(O)COC6OC(CO)C(O)C(O)C6O)C(C)C54O)C3)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Aglycone:

CC1C(O)(CCC(C)(O)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O

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

• CNP0119574

AD52895

Formula: C27H44O6

Smiles:

CC1C(O)(CCC(C)(O)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C21O

HBA:	6	RingCount:	5
HBD:	5	FractionCSP3:	0.93
AlogP:	2.9	Num_rotatable_bonds:	4
MolWt:	464.64	Num_heavy_atoms:	33
TPSA:	110.38	NumAromaticRings:	0