GD134285

Name:

7-{[5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²³.0¹⁷,²²]tetracos-4-en-3-one

Formula:

C45H71O16N

Smiles:

CC1CCC2C(C)C3C(CC4C5C(=O)C=C6CC(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CCC6(C)C5CCC43C)N2C1

Aglycone:

CC1CCC2C(C)C3C(CC4C5C(=O)C=C6CC(O)CCC6(C)C5CCC43C)N2C1

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0271272

AD54330

Formula: C27H41O2N

Smiles:

CC1CCC2C(C)C3C(CC4C5C(=O)C=C6CC(O)CCC6(C)C5CCC43C)N2C1

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.89
AlogP:	4.83	Num_rotatable_bonds:	0
MolWt:	411.63	Num_heavy_atoms:	30
TPSA:	40.54	NumAromaticRings:	0