GD037024

Name:

None

Formula:

C62H94O17N4

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(CCCNC(=O)OCc2ccccc2)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(CCCNC(=O)OCc2ccccc2)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

• CHEMBL4458825

AD23351

Formula: C46H65O10N3

Smiles:

CCC1OC(=O)CC(O)C(C)C(O)C(CC(C(=O)NC(C)(C)C)N(CCCNC(=O)OCc2ccccc2)C(=O)c2ccccc2)CC(C)C(=O)C=CC(C)=CC1CO

HBA:	13	RingCount:	3
HBD:	5	FractionCSP3:	0.54
AlogP:	5.52	Num_rotatable_bonds:	13
MolWt:	820.04	Num_heavy_atoms:	59
TPSA:	191.8	NumAromaticRings:	2