Glycoside
GD025005
Name:
NoneFormula:
C22H32O4N10SSmiles:
CN1CCn2nc(CNC(=O)[C@H](N)CCSC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)cc2C1Aglycone:
CSCCC(N)C(=O)NCc1cc2n(n1)CCN(C)C2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 532.63 | Num_heavy_atoms: | 37 |
| TPSA: | 195.49 | 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 |
AD16628
Formula: C13H23ON5S
Smiles:
CSCCC(N)C(=O)NCc1cc2n(n1)CCN(C)C2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.69 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 297.43 | Num_heavy_atoms: | 20 |
| TPSA: | 76.18 | NumAromaticRings: | 1 |
