Glycoside

GD006308
Name:
NoneFormula:
C44H59O11N11Smiles:
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(OCc2cn([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1)C(N)=OAglycone:
Cc1cc(O)cc(C)c1CC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(OCC2=C[N]N=N2)cc1)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 5 |
HBD: | 16 | FractionCSP3: | 0.43 |
AlogP: | -2.29 | Num_rotatable_bonds: | 22 |
MolWt: | 918.02 | Num_heavy_atoms: | 66 |
TPSA: | 368.63 | NumAromaticRings: | 4 |
Unique Aglycone
AD05237
Formula: C38H48O6N11
Smiles:
Cc1cc(O)cc(C)c1CC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(OCC2=C[N]N=N2)cc1)C(N)=OHBA: | 17 | RingCount: | 4 |
HBD: | 12 | FractionCSP3: | 0.34 |
AlogP: | 0.77 | Num_rotatable_bonds: | 20 |
MolWt: | 754.87 | Num_heavy_atoms: | 55 |
TPSA: | 286.59 | NumAromaticRings: | 3 |