GD118948

Name:

2-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-2-{[2-hydroxy-20-(hydroxymethyl)-4,5,9,9,13,20-hexamethyl-23-methylidene-24-oxahexacyclo[15.5.2.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracosan-10-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C54H88O22

Smiles:

C=C1OC23CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C2(C)CC(O)C12CCC(C)(CO)CC23

Aglycone:

C=C1OC23CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC(O)C12CCC(C)(CO)CC23

Sugarmoiety:

CC1OC(OC2C(OC3COC(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0352893

AD47602

Formula: C31H50O4

Smiles:

C=C1OC23CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC(O)C12CCC(C)(CO)CC23

HBA:	4	RingCount:	6
HBD:	3	FractionCSP3:	0.94
AlogP:	5.84	Num_rotatable_bonds:	1
MolWt:	486.74	Num_heavy_atoms:	35
TPSA:	69.92	NumAromaticRings:	0