Glycoside
GD068466
Name:
NoneFormula:
C15H19O4N5SSmiles:
OC[C@H]1O[C@@H](n2ccc3c(NC(=S)NC4CC4)ncnc32)[C@H](O)[C@@H]1OAglycone:
S=C(Nc1ncnc2c1C=C[N]2)NC1CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 365.42 | Num_heavy_atoms: | 25 |
| TPSA: | 124.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD32435
Formula: C10H10N5S
Smiles:
S=C(Nc1ncnc2c1C=C[N]2)NC1CC1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.29 | Num_heavy_atoms: | 16 |
| TPSA: | 63.94 | NumAromaticRings: | 1 |
