GD135868

Name:

2-({3-hydroxy-2-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]-6-[7',9',13'-trimethyl-5-methylidene-4-(3,4,5-trihydroxyoxan-2-yl)-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy]oxan-4-yl}oxy)-6-methyloxane-3,4,5-triol

Formula:

C49H76O21

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(OC7OC(C)C(O)C(OC8OC(C)C(O)C(O)C8O)C7OC7OCC(O)C(O)C7O)C6(C)C5CCC4(C)C3C2C)C(O)C1C1OCC(O)C(O)C1O

Aglycone:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1

Sugarmoiety:

CC1OC(OC2C(O)C(C)OC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

• CNP0250053

AD08864

Formula: C27H40O5

Smiles:

C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	0.85
AlogP:	3.58	Num_rotatable_bonds:	0
MolWt:	444.61	Num_heavy_atoms:	32
TPSA:	79.15	NumAromaticRings:	0