GD150654

Name:

3,16'-dihydroxy-14'-({5-hydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-5,7',9',13'-tetramethyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-en-3'-one

Formula:

C49H76O23

Smiles:

CC1COC2(OC3C(=O)C4C5CC=C6CC(O)CC(OC7OCC(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)C6(C)C5CCC4(C)C3C2C)C(O)C1OC1OC(C)C(O)C(O)C1O

Aglycone:

CC1COC2(OC3C(=O)C4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OCC(O)C2OC2OCC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0270563

AD49423

Formula: C27H40O7

Smiles:

CC1COC2(OC3C(=O)C4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1O

HBA:	7	RingCount:	6
HBD:	4	FractionCSP3:	0.89
AlogP:	1.81	Num_rotatable_bonds:	0
MolWt:	476.61	Num_heavy_atoms:	34
TPSA:	116.45	NumAromaticRings:	0