Glycoside
GD035131
Name:
NoneFormula:
C29H25O8N6SSmiles:
Nc1nc(-c2ccc(-c3ccccc3)cc2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)[N-]C(=O)c1ccccc1O.Nc1nc(-c2ccc(-c3ccccc3)cc2)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.17 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 8 |
| MolWt: | 617.62 | Num_heavy_atoms: | 44 |
| TPSA: | 214.08 | NumAromaticRings: | 5 |
Unique Aglycone
AD01994
Formula: C8H8O5NS
Smiles:
COS(=O)(=O)[N-]C(=O)c1ccccc1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.22 | Num_heavy_atoms: | 15 |
| TPSA: | 94.77 | NumAromaticRings: | 1 |
AD16581
Formula: C17H12N5
Smiles:
Nc1nc(-c2ccc(-c3ccccc3)cc2)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.32 | Num_heavy_atoms: | 22 |
| TPSA: | 78.26 | NumAromaticRings: | 3 |
