Glycoside
GD022476
Name:
NoneFormula:
C15H19O5N3SSmiles:
Nc1cccc2c1ncn2[C@@H]1O[C@H](CSCCC(=O)O)[C@H](O)[C@H]1OAglycone:
CSCCC(=O)O.Nc1cccc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 353.4 | Num_heavy_atoms: | 24 |
| TPSA: | 130.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD03003
Formula: C7H6N3
Smiles:
Nc1cccc2c1N=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.15 | Num_heavy_atoms: | 10 |
| TPSA: | 52.48 | NumAromaticRings: | 1 |
AD05499
Formula: C4H8O2S
Smiles:
CSCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 120.17 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
