Glycoside
GD029647
Name:
NoneFormula:
C16H18O4N6SSmiles:
Nc1nc(O)c2nc(N)n(C3O[C@H](CSc4ccccc4)[C@H](O)[C@H]3O)c2n1Aglycone:
CSc1ccccc1.NC1=Nc2c(O)nc(N)nc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.31 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.43 | Num_heavy_atoms: | 27 |
| TPSA: | 165.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD05069
Formula: C5H5ON6
Smiles:
NC1=Nc2c(O)nc(N)nc2[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.14 | Num_heavy_atoms: | 12 |
| TPSA: | 124.51 | NumAromaticRings: | 1 |
AD06994
Formula: C7H8S
Smiles:
CSc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.21 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
