Aglycone
AD20046
Formula: C17H17O9N3S3
Smiles:
CSCC(=O)NCCN1C(=O)c2cc(S(=O)(=O)O)cc3c(N)c(S(=O)(=O)O)cc(c23)C1=O| HBA: | 12 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.24 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 503.54 | Num_heavy_atoms: | 32 |
| TPSA: | 201.24 | NumAromaticRings: | 2 |