GD136079

Name:

2-(2-hydroxy-3,8,8,17,19-pentamethyl-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-23,24-dioxaheptacyclo[19.2.1.0¹,¹⁸.0³,¹⁷.0⁴,¹⁴.0⁷,¹².0¹²,¹⁴]tetracosan-22-yl)propan-2-yl acetate

Formula:

C38H60O11

Smiles:

CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C5CCC4C1(C)C3O

Aglycone:

CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0117648

AD06682

Formula: C32H50O6

Smiles:

CC(=O)OC(C)(C)C1OC23OC1CC(C)C2C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O

HBA:	6	RingCount:	7
HBD:	2	FractionCSP3:	0.97
AlogP:	5.23	Num_rotatable_bonds:	2
MolWt:	530.75	Num_heavy_atoms:	38
TPSA:	85.22	NumAromaticRings:	0