GD142480

Name:

6-[(2,6,6,10,17,17,23-heptamethyl-21-oxo-19-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-oxahexacyclo[18.2.2.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁰]tetracos-13-en-7-yl)oxy]-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:

C53H82O24

Smiles:

CC1CC23C(=O)OC14C(=CCC1C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC14C)C2CC(C)(C)CC3OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC1CC23C(=O)OC14C(=CCC1C5(C)CCC(O)C(C)(C)C5CCC14C)C2CC(C)(C)CC3O

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0159384

AD22275

Formula: C30H46O4

Smiles:

CC1CC23C(=O)OC14C(=CCC1C5(C)CCC(O)C(C)(C)C5CCC14C)C2CC(C)(C)CC3O

HBA:	4	RingCount:	7
HBD:	2	FractionCSP3:	0.9
AlogP:	5.66	Num_rotatable_bonds:	0
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0