Glycoside
GD010305
Name:
NoneFormula:
C25H35O4N7SSmiles:
CNc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(C(C)(C)C)cc2)[C@H](O)[C@H]1OAglycone:
CNc1ncnc2c1N=C[N]2.CSCCCNC(=O)Nc1ccc(C(C)(C)C)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 529.67 | Num_heavy_atoms: | 37 |
| TPSA: | 146.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD02186
Formula: C6H6N5
Smiles:
CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
AD07983
Formula: C15H24ON2S
Smiles:
CSCCCNC(=O)Nc1ccc(C(C)(C)C)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 280.44 | Num_heavy_atoms: | 19 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
