Glycoside
GD020418
Name:
NoneFormula:
C14H19O4N5SSmiles:
C[C@]1(O)C(n2cnc3c(N4CCCS4)ncnc32)O[C@H](CO)[C@H]1OAglycone:
C1=Nc2c(ncnc2N2CCCS2)[N]1Sugarmoiety:
CC1(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 353.4 | Num_heavy_atoms: | 24 |
| TPSA: | 116.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD14097
Formula: C8H8N5S
Smiles:
C1=Nc2c(ncnc2N2CCCS2)[N]1| HBA: | 5 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.38 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 206.25 | Num_heavy_atoms: | 14 |
| TPSA: | 55.48 | NumAromaticRings: | 1 |
