Glycoside
GD035793
Name:
NoneFormula:
C28H36O4N10SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)NCc2cc3n(n2)CCN(Cc2ccccc2)C3)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)NCc1cc2n(n1)CCN(Cc1ccccc1)C2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 608.73 | Num_heavy_atoms: | 43 |
| TPSA: | 195.49 | NumAromaticRings: | 4 |
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 |
AD22627
Formula: C19H27ON5S
Smiles:
CSCCC(N)C(=O)NCc1cc2n(n1)CCN(Cc1ccccc1)C2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 8 |
| MolWt: | 373.53 | Num_heavy_atoms: | 26 |
| TPSA: | 76.18 | NumAromaticRings: | 2 |
