Glycoside
GD032439
Name:
NoneFormula:
C18H22O4N6S2Smiles:
Cc1csc(SC[C@@H]2OC(n3cnc4c(NC5CCOC5)ncnc43)[C@H](O)[C@H]2O)n1Aglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.CSc1nc(C)cs1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.55 | Num_heavy_atoms: | 30 |
| TPSA: | 127.44 | NumAromaticRings: | 3 |
Unique Aglycone
AD01177
Formula: C9H10ON5
Smiles:
C1=Nc2c(ncnc2NC2CCOC2)[N]1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.44 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.21 | Num_heavy_atoms: | 15 |
| TPSA: | 73.5 | NumAromaticRings: | 1 |
AD20808
Formula: C5H7NS2
Smiles:
CSc1nc(C)cs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.25 | Num_heavy_atoms: | 8 |
| TPSA: | 12.89 | NumAromaticRings: | 1 |
