Glycoside
GD088739
Name:
NoneFormula:
C17H25O5N7SSmiles:
OC[C@H]1O[C@@H](n2cnc3c(NC(=S)NCCN4CCOCC4)ncnc32)[C@@H](O)[C@@H]1OAglycone:
S=C(NCCN1CCOCC1)Nc1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 6 |
| MolWt: | 439.5 | Num_heavy_atoms: | 30 |
| TPSA: | 150.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD38824
Formula: C12H16ON7S
Smiles:
S=C(NCCN1CCOCC1)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 306.38 | Num_heavy_atoms: | 21 |
| TPSA: | 88.77 | NumAromaticRings: | 1 |
