Glycoside
GD026499
Name:
NoneFormula:
C22H31O9N7Smiles:
NC(=O)[C@@H]1OC(NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCC(=O)N2)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1Sugarmoiety:
NC(=O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.64 |
| AlogP: | -4.88 | Num_rotatable_bonds: | 8 |
| MolWt: | 537.53 | Num_heavy_atoms: | 38 |
| TPSA: | 249.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD17460
Formula: C16H22O4N6
Smiles:
NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 6 |
| MolWt: | 362.39 | Num_heavy_atoms: | 26 |
| TPSA: | 150.28 | NumAromaticRings: | 1 |
