Glycoside
GD033361
Name:
NoneFormula:
C17H20O4N6S2Smiles:
O[C@@H]1C(n2cnc3c(NC4CCOC4)ncnc32)O[C@@H](CSc2nccs2)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.CSc1nccs1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 436.52 | Num_heavy_atoms: | 29 |
| 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 |
AD14252
Formula: C4H5NS2
Smiles:
CSc1nccs1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 131.22 | Num_heavy_atoms: | 7 |
| TPSA: | 12.89 | NumAromaticRings: | 1 |
