Glycoside
GD024982
Name:
NoneFormula:
C16H21O9N7SSmiles:
O=C(CCCC(=O)NC1C(O)OC(CO)C(O)C1O)Nc1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1Aglycone:
NC(=O)CCCC(=O)Nc1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 9 |
| MolWt: | 487.45 | Num_heavy_atoms: | 33 |
| TPSA: | 245.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD16613
Formula: C10H11O4N7S
Smiles:
NC(=O)CCCC(=O)Nc1nnc(-c2nc([N+](=O)[O-])c[nH]2)s1| HBA: | 11 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 325.31 | Num_heavy_atoms: | 22 |
| TPSA: | 169.79 | NumAromaticRings: | 2 |
