Glycoside
GD009280
Name:
NoneFormula:
C18H25O9N5SSmiles:
CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c([N+](=O)[O-])cccc32)[C@H](O)[C@H]1OAglycone:
CCC(C)C(N)C(=O)NS(=O)(=O)OC.O=[N+]([O-])c1cccc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 9 |
| MolWt: | 487.49 | Num_heavy_atoms: | 33 |
| TPSA: | 209.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD00777
Formula: C7H4O2N3
Smiles:
O=[N+]([O-])c1cccc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 162.13 | Num_heavy_atoms: | 12 |
| TPSA: | 69.6 | NumAromaticRings: | 1 |
AD01496
Formula: C7H16O4N2S
Smiles:
CCC(C)C(N)C(=O)NS(=O)(=O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 224.28 | Num_heavy_atoms: | 14 |
| TPSA: | 98.49 | NumAromaticRings: | 0 |
