GD150104

Name:

N-[4,5-dihydroxy-2-({2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-22-oxahexacyclo[19.2.1.0¹,¹⁸.0⁴,¹⁷.0⁵,¹⁴.0⁸,¹³]tetracos-16-en-10-yl}oxy)-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-3-yl]acetamide

Formula:

C43H67O13N

Smiles:

CC(O)=NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C6CC5(C(=O)O6)C(O)CC34C)C2(C)C)OC(COC2OCC(O)C(O)C2O)C(O)C1O

Aglycone:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

Sugarmoiety:

CC(O)=NC1C(O)OC(COC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0295148

AD04468

Formula: C30H46O4

Smiles:

CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C23CC1OC3=O

HBA:	4	RingCount:	6
HBD:	2	FractionCSP3:	0.9
AlogP:	5.66	Num_rotatable_bonds:	0
MolWt:	470.69	Num_heavy_atoms:	34
TPSA:	66.76	NumAromaticRings:	0