Glycoside
GD121704
Name:
ShowdomycinFormula:
C9H11O6NSmiles:
O=C1N=C(O)C=C1C1OC(CO)C(O)C1OAglycone:
O=C1C=CC(O)=N1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -2.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 229.19 | Num_heavy_atoms: | 16 |
| TPSA: | 119.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD49005
Formula: C4H3O2N
Smiles:
O=C1C=CC(O)=N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 7 |
| TPSA: | 49.66 | NumAromaticRings: | 0 |
