GD125972

Name:

(3,4,5-trihydroxy-6-{[4-hydroxy-2-(hydroxymethyl)-6-{6-methoxy-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}oxan-2-yl)methyl acetate

Formula:

C48H76O19

Smiles:

COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(COC(C)=O)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C

Aglycone:

COC(C)=O.COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0265488

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD50952

Formula: C28H44O4

Smiles:

COC1OC2(CCC1C)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	1	FractionCSP3:	0.93
AlogP:	5.69	Num_rotatable_bonds:	1
MolWt:	444.66	Num_heavy_atoms:	32
TPSA:	47.92	NumAromaticRings:	0