GD147745

Name:

2-[(4-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-{[2,21-dihydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-15-en-10-yl]oxy}-5-hydroxy-6-methyloxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C54H88O23

Smiles:

CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(OC4CCC5(C)C(CCC6(C)C5C=CC57OCC8(CC(O)C(C)(C)CC85)C(O)CC67C)C4(C)CO)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1(C)CC2C3(COC24C=CC2C5(C)CCC(O)C(C)(CO)C5CCC2(C)C4(C)CC3O)CC1O

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0313312

AD56723

Formula: C30H48O5

Smiles:

CC1(C)CC2C3(COC24C=CC2C5(C)CCC(O)C(C)(CO)C5CCC2(C)C4(C)CC3O)CC1O

HBA:	5	RingCount:	6
HBD:	4	FractionCSP3:	0.93
AlogP:	4.07	Num_rotatable_bonds:	1
MolWt:	488.71	Num_heavy_atoms:	35
TPSA:	90.15	NumAromaticRings:	0