Glycoside
GD101140
Name:
NoneFormula:
C22H27O5N7Smiles:
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(C(=O)N(C)C)cc4C)ncnc32)[C@H](O)[C@@H]1OAglycone:
CCNC=O.Cc1cc(C(=O)N(C)C)ccc1Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 469.5 | Num_heavy_atoms: | 34 |
| TPSA: | 154.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD00170
Formula: C3H7ON
Smiles:
CCNC=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD42749
Formula: C15H15ON6
Smiles:
Cc1cc(C(=O)N(C)C)ccc1Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | 2.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 295.33 | Num_heavy_atoms: | 22 |
| TPSA: | 84.58 | NumAromaticRings: | 2 |
