GD037340

Name:

None

Formula:

C55H90O15N4

Smiles:

CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CC(C(=O)NC(C)(C)C)N(CCCCN)C(=O)c2ccccc2)C[C@H](C)C(=O)C=CC(C)=C[C@H]1CO[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1OC

Aglycone:

CCC1OC(=O)CC(O)C(C)C(O)C(CC(C(=O)NC(C)(C)C)N(CCCCN)C(=O)c2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OC

Other Identifiers

• CHEMBL4472796

AD23531

Formula: C39H61O8N3

Smiles:

CCC1OC(=O)CC(O)C(C)C(O)C(CC(C(=O)NC(C)(C)C)N(CCCCN)C(=O)c2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO

HBA:	11	RingCount:	2
HBD:	6	FractionCSP3:	0.64
AlogP:	3.95	Num_rotatable_bonds:	11
MolWt:	699.93	Num_heavy_atoms:	50
TPSA:	179.49	NumAromaticRings:	1