Glycoside
GD022715
Name:
NoneFormula:
C38H55O11N11Smiles:
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](COCc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1)C(N)=OAglycone:
Cc1cc(O)cc(C)c1CC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(COCC1=C[N]N=N1)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.5 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 21 |
| MolWt: | 841.92 | Num_heavy_atoms: | 60 |
| TPSA: | 368.63 | NumAromaticRings: | 3 |
Unique Aglycone
AD15365
Formula: C32H44O6N11
Smiles:
Cc1cc(O)cc(C)c1CC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(COCC1=C[N]N=N1)C(N)=O| HBA: | 17 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 0.41 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 19 |
| MolWt: | 678.77 | Num_heavy_atoms: | 49 |
| TPSA: | 286.59 | NumAromaticRings: | 2 |
