Glycoside
GD071983
Name:
NoneFormula:
C12H20O8N4SSmiles:
COCCS(=O)(=O)Nc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OAglycone:
COCCS(=O)(=O)NC1=C(C(N)=O)N=C[N]1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -3.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 380.38 | Num_heavy_atoms: | 25 |
| TPSA: | 186.23 | NumAromaticRings: | 1 |
Unique Aglycone
AD33758
Formula: C7H11O4N4S
Smiles:
COCCS(=O)(=O)NC1=C(C(N)=O)N=C[N]1| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 6 |
| MolWt: | 247.26 | Num_heavy_atoms: | 16 |
| TPSA: | 124.95 | NumAromaticRings: | 0 |
