GD019230

Name:

None

Formula:

C42H81O12N3

Smiles:

CCCCNC[C@]1(O)[C@H](C)O[C@H](O[C@H]2[C@H](C)C(=O)O[C@@H](CC)[C@](C)(O)[C@@H](O)[C@@H](C)NC[C@@H](C)C[C@](C)(O)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)C[C@]1(C)OC

Aglycone:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CNC(C)C(O)C1(C)O.CCCCNC

Sugarmoiety:

COC1(C)CC(O)OC(C)C1(O)O

Other Identifiers

• CHEMBL2114273
• CHEMBL96349

AD00579

Formula: C29H56O9N2

Smiles:

CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CNC(C)C(O)C1(C)O

HBA:	11	RingCount:	2
HBD:	6	FractionCSP3:	0.97
AlogP:	0.63	Num_rotatable_bonds:	4
MolWt:	576.77	Num_heavy_atoms:	40
TPSA:	161.18	NumAromaticRings:	0

AD02557

Formula: C5H13N

Smiles:

CCCCNC

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	1.01	Num_rotatable_bonds:	3
MolWt:	87.17	Num_heavy_atoms:	6
TPSA:	12.03	NumAromaticRings:	0