GD127616

Name:

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

Formula:

C51H80O24

Smiles:

C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(COC5OC(CO)C(O)(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C4CCC3(C)C1C2C

Aglycone:

C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(CO)C4CCC3(C)C1C2C

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3(O)C(CO)OC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0075545

AD51680

Formula: C27H40O4

Smiles:

C=C1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(CO)C4CCC3(C)C1C2C

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.85
AlogP:	4.61	Num_rotatable_bonds:	1
MolWt:	428.61	Num_heavy_atoms:	31
TPSA:	58.92	NumAromaticRings:	0