GD136064

Name:

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

Formula:

C45H72O19

Smiles:

CC1=C(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CC(=O)C3(C)C12

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0170041

AD55003

Formula: C27H42O4

Smiles:

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

HBA:	4	RingCount:	5
HBD:	2	FractionCSP3:	0.89
AlogP:	4.88	Num_rotatable_bonds:	4
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	66.76	NumAromaticRings:	0