Glycoside
GD009432
Name:
NoneFormula:
C15H22O3N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS[C@@H]2CCC[C@H]2N)[C@H](O)[C@H]1OAglycone:
CSC1CCCC1N.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 366.45 | Num_heavy_atoms: | 25 |
| TPSA: | 145.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD07396
Formula: C6H13NS
Smiles:
CSC1CCCC1N| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 131.24 | Num_heavy_atoms: | 8 |
| TPSA: | 26.02 | NumAromaticRings: | 0 |
