GD140770

Name:

23-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-26-[2-(4-ethyl-1H-pyrrol-3-yl)ethyl]-31-(3-hydroxypropyl)-11-(methoxymethyl)-9,24,24,28-tetramethyl-2-oxo-3-azaundecacyclo[19.10.4.1²⁵,²⁹.0¹,¹⁵.0⁴,⁹.0⁵,¹².0⁵,¹⁶.0¹⁵,²⁸.0¹⁸,²⁷.0²¹,²⁶.0²⁷,³³]hexatriaconta-6,16,32,34-tetraene-12-carboxylic acid

Formula:

C59H78O12N2

Smiles:

CCc1c[nH]cc1CCC12C3CC4CC(CCCO)C56C=C7C=CC1(CCC1C=C8C9%10C=CCC(C)(CC(COC)C9(C(=O)O)CCC85C4(C)C712)C%10N=C6O)CC(OC1OC(C(=O)O)C(O)C(O)C1O)C3(C)C

Aglycone:

CCc1c[nH]cc1CCC12C3CC4CC(CCCO)C56C=C7C=CC1(CCC1C=C8C9%10C=CCC(C)(CC(COC)C9(C(=O)O)CCC85C4(C)C712)C%10N=C6O)CC(O)C3(C)C

Sugarmoiety:

O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0170027

AD56754

Formula: C53H70O6N2

Smiles:

CCc1c[nH]cc1CCC12C3CC4CC(CCCO)C56C=C7C=CC1(CCC1C=C8C9%10C=CCC(C)(CC(COC)C9(C(=O)O)CCC85C4(C)C712)C%10N=C6O)CC(O)C3(C)C

HBA:	8	RingCount:	12
HBD:	5	FractionCSP3:	0.74
AlogP:	9.35	Num_rotatable_bonds:	10
MolWt:	831.15	Num_heavy_atoms:	61
TPSA:	135.37	NumAromaticRings:	1