GD134427

Name:

2-{[5-hydroxy-6-(hydroxymethyl)-2-[5'-(hydroxymethyl)-7,9,13-trimethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-en-10-oloxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

Formula:

C45H73O17N

Smiles:

CC1OC(OC2C(OC3CCC4(C)C(=CCC5C4CC(O)C4(C)C5CC5OC6(CCC(CO)CN6)C(C)C54)C3)OC(CO)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O

Aglycone:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C32C)OC12CCC(CO)CN2

Sugarmoiety:

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

Other Identifiers

• CNP0258396

AD54381

Formula: C27H43O4N

Smiles:

CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CC(O)C32C)OC12CCC(CO)CN2

HBA:	5	RingCount:	6
HBD:	4	FractionCSP3:	0.93
AlogP:	3.23	Num_rotatable_bonds:	1
MolWt:	445.64	Num_heavy_atoms:	32
TPSA:	81.95	NumAromaticRings:	0