Glycoside
GD008819
Name:
NoneFormula:
C16H16O4N4SSmiles:
Oc1ncnc2c(C3O[C@H](CSc4ccccc4)[C@H](O)[C@H]3O)n[nH]c12Aglycone:
CSc1ccccc1.Oc1ncnc2cn[nH]c12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.4 | Num_heavy_atoms: | 25 |
| TPSA: | 124.38 | NumAromaticRings: | 3 |
Unique Aglycone
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 |
AD06995
Formula: C5H4ON4
Smiles:
Oc1ncnc2cn[nH]c12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 136.11 | Num_heavy_atoms: | 10 |
| TPSA: | 74.69 | NumAromaticRings: | 2 |
