Glycoside
GD018809
Name:
Cycloaspeptide FFormula:
C42H53O11N5Smiles:
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)N(C)C1=OAglycone:
CC(C)CC1NC(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)c2ccccc2NC(=O)C(Cc2ccc(O)cc2)N(C)C1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 803.91 | Num_heavy_atoms: | 58 |
| TPSA: | 227.3 | NumAromaticRings: | 3 |
Unique Aglycone
AD13198
Formula: C36H43O6N5
Smiles:
CC(C)CC1NC(=O)C(Cc2ccccc2)N(C)C(=O)C(C)NC(=O)c2ccccc2NC(=O)C(Cc2ccc(O)cc2)N(C)C1=O| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 3.13 | Num_rotatable_bonds: | 6 |
| MolWt: | 641.77 | Num_heavy_atoms: | 47 |
| TPSA: | 148.15 | NumAromaticRings: | 3 |
