Glycoside
GD024708
Name:
NoneFormula:
C22H27O4N7SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCC(N)C(=O)N2Cc3ccccc3C2)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)N1Cc2ccccc2C1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | 0.02 | Num_rotatable_bonds: | 7 |
| MolWt: | 485.57 | Num_heavy_atoms: | 34 |
| TPSA: | 165.64 | 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 |
AD16465
Formula: C13H18ON2S
Smiles:
CSCCC(N)C(=O)N1Cc2ccccc2C1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 250.37 | Num_heavy_atoms: | 17 |
| TPSA: | 46.33 | NumAromaticRings: | 1 |
