Glycoside
GD080531
Name:
NoneFormula:
C13H20O9N4SSmiles:
COC(=O)CCS(=O)(=O)Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COC(=O)CCS(=O)(=O)NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -3.1 | Num_rotatable_bonds: | 8 |
| MolWt: | 408.39 | Num_heavy_atoms: | 27 |
| TPSA: | 203.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD36446
Formula: C8H11O5N4S
Smiles:
COC(=O)CCS(=O)(=O)NC1=C(C(N)=O)N=C[N]1| HBA: | 9 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.38 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 275.27 | Num_heavy_atoms: | 18 |
| TPSA: | 142.02 | NumAromaticRings: | 0 |
