GD124647

Name:

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

Formula:

C50H80O22

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(OC6OC(CO)C(O)C(OC7OC(C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C6O)C5(C)C4CCC3(C)C1C2C

Aglycone:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)C(O)OC(CO)C2O)C(OC2OCC(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C1O

Other Identifiers

• CNP0321535

AD06417

Formula: C27H42O4

Smiles:

CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CC(O)C5(C)C4CCC3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	4.68	Num_rotatable_bonds:	0
MolWt:	430.63	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0