Glycoside
GD087761
Name:
NoneFormula:
C17H22O8N4SSmiles:
COc1cc(C)ccc1S(=O)(=O)Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COc1cc(C)ccc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.45 | Num_heavy_atoms: | 30 |
| TPSA: | 186.23 | NumAromaticRings: | 2 |
Unique Aglycone
AD38494
Formula: C12H13O4N4S
Smiles:
COc1cc(C)ccc1S(=O)(=O)NC1=C(C(N)=O)N=C[N]1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.17 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.33 | Num_heavy_atoms: | 21 |
| TPSA: | 124.95 | NumAromaticRings: | 1 |
