GD125174

Name:

2-[(3-hydroxy-6-{[16-hydroxy-15-(2-hydroxypropan-2-yl)-1,2,6,6,10,18-hexamethyl-14,23-dioxahexacyclo[11.8.1.1¹⁵,¹⁸.0²,¹¹.0⁵,¹⁰.0¹⁹,²²]tricosan-7-yl]oxy}-2-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-4-yl)oxy]-6-methyloxane-3,4,5-triol

Formula:

C48H80O18

Smiles:

CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC4OC6(C(C)(C)O)OC(C)(CC6O)C6CCC5(C)C46)C3(C)C)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC12CC(O)C(C(C)(C)O)(OC3CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C4(C)CCC1C34)O2

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0303688

AD50614

Formula: C30H50O5

Smiles:

CC12CC(O)C(C(C)(C)O)(OC3CC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C4(C)CCC1C34)O2

HBA:	5	RingCount:	6
HBD:	3	FractionCSP3:	1.0
AlogP:	5.05	Num_rotatable_bonds:	1
MolWt:	490.73	Num_heavy_atoms:	35
TPSA:	79.15	NumAromaticRings:	0