GD151375

Name:

11-[(6-carboxy-4,5-dihydroxy-3-methoxyoxan-2-yl)oxy]-32-hydroxy-22,26-bis(hydroxymethyl)-32-(3-methoxy-3-oxopropyl)-2,6,8,13,14,17,18,39-octamethyl-34-oxo-27,33-dioxadecacyclo[20.19.0.0²,¹⁹.0⁵,¹⁸.0⁶,¹⁵.0⁹,¹⁴.0²³,³⁹.0²⁶,³⁸.0²⁸,³⁶.0³¹,³⁵]hentetraconta-28,30,35-triene-8-carboxylic acid

Formula:

C61H88O17

Smiles:

COC(=O)CCC1(O)OC(=O)c2c1ccc1c2CC2C(CO)(CCC3C2(C)CCC2C4(C)CCC5C6(C)CC(C)(C(=O)O)C7CC(OC8OC(C(=O)O)C(O)C(O)C8OC)CC(C)C7(C)C6CC(C)C5(C)C4CCC32CO)O1

Aglycone:

COC(=O)CCC1(O)OC(=O)c2c1ccc1c2CC2C(CO)(CCC3C2(C)CCC2C4(C)CCC5C6(C)CC(C)(C(=O)O)C7CC(O)CC(C)C7(C)C6CC(C)C5(C)C4CCC32CO)O1

Sugarmoiety:

COC1C(O)OC(C(=O)O)C(O)C1O

Other Identifiers

• CNP0321760

AD60377

Formula: C54H78O11

Smiles:

COC(=O)CCC1(O)OC(=O)c2c1ccc1c2CC2C(CO)(CCC3C2(C)CCC2C4(C)CCC5C6(C)CC(C)(C(=O)O)C7CC(O)CC(C)C7(C)C6CC(C)C5(C)C4CCC32CO)O1

HBA:	11	RingCount:	10
HBD:	5	FractionCSP3:	0.83
AlogP:	8.45	Num_rotatable_bonds:	6
MolWt:	903.21	Num_heavy_atoms:	65
TPSA:	180.05	NumAromaticRings:	1