Glycoside
GD012829
Name:
NoneFormula:
C27H43O9N7Smiles:
CC(C)[C@H](N)C(=O)N[C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)n1)C(C)CAglycone:
CC(NC(=O)C(N)C(C)C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1cc[nH]c(=O)n1)C(C)CSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.7 |
| AlogP: | -2.59 | Num_rotatable_bonds: | 11 |
| MolWt: | 609.68 | Num_heavy_atoms: | 43 |
| TPSA: | 238.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD09636
Formula: C22H35O5N7
Smiles:
CC(NC(=O)C(N)C(C)C)C(=O)NC(C(=O)N1CCCC1C(=O)Nc1cc[nH]c(=O)n1)C(C)C| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 477.57 | Num_heavy_atoms: | 34 |
| TPSA: | 179.38 | NumAromaticRings: | 1 |
