Glycoside
GD009368
Name:
NoneFormula:
C21H27O4N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCCNC(=O)Nc2ccccc2)[C@H](O)[C@H]1OAglycone:
CSCCCCNC(=O)Nc1ccccc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 473.56 | Num_heavy_atoms: | 33 |
| TPSA: | 160.44 | NumAromaticRings: | 3 |
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 |
AD07349
Formula: C12H18ON2S
Smiles:
CSCCCCNC(=O)Nc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 238.36 | Num_heavy_atoms: | 16 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
