Glycoside
GD001127
Name:
NoneFormula:
C21H22O4N6S2Smiles:
O[C@@H]1C(n2cnc3c(NC4CCOC4)ncnc32)O[C@@H](CSc2nc3ccccc3s2)[C@H]1OAglycone:
C1=Nc2c(ncnc2NC2CCOC2)[N]1.CSc1nc2ccccc2s1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 6 |
| MolWt: | 486.58 | Num_heavy_atoms: | 33 |
| TPSA: | 127.44 | NumAromaticRings: | 4 |
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 |
AD01178
Formula: C8H7NS2
Smiles:
CSc1nc2ccccc2s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 181.28 | Num_heavy_atoms: | 11 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
