GD036201

Name:

(3,4,5-trihydroxy-6-{[4-hydroxy-2-(hydroxymethyl)-6-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}oxan-2-yl)methyl acetate

Formula:

C47H75O17N

Smiles:

CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@]4(C)C(=CC[C@@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@H](C)CN8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)[C@@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C.COC(C)=O

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(OC3OC(O)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2228354
• CNP0079879

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD07171

Formula: C27H43O2N

Smiles:

CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C

HBA:	3	RingCount:	6
HBD:	2	FractionCSP3:	0.93
AlogP:	5.29	Num_rotatable_bonds:	0
MolWt:	413.65	Num_heavy_atoms:	30
TPSA:	41.49	NumAromaticRings:	0