GD126614

Name:

2-[(4,5-dihydroxy-2-{8'-hydroxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-16'-yl}-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C45H72O19

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(C6(OC7OC(CO)C(O)C(O)C7O)OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1(O)C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC=C5CCCCC5(C)C4CCC3(C)C1(O)C2C

Sugarmoiety:

OCC1OC(OC2C(O)C(O)C(CO)OC2(O)OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0113878

AD51246

Formula: C27H42O3

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CCCCC5(C)C4CCC3(C)C1(O)C2C

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.86	Num_rotatable_bonds:	0
MolWt:	414.63	Num_heavy_atoms:	30
TPSA:	38.69	NumAromaticRings:	0