GD126301

Name:

2-[(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}-5-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:

C59H96O27

Smiles:

C=C1OC23CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OCC(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:

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0088577

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