Glycoside
GD004037
Name:
NoneFormula:
C20H27O7N7Smiles:
CCOC1CC2(C)OC1(C(=O)NC[C@@H]1O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]1O)C(=O)N2CAglycone:
CCOC1CC2(C)OC1(C(=O)NC)C(=O)N2C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -2.1 | Num_rotatable_bonds: | 6 |
| MolWt: | 477.48 | Num_heavy_atoms: | 34 |
| TPSA: | 187.18 | NumAromaticRings: | 2 |
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 |
AD03580
Formula: C11H18O4N2
Smiles:
CCOC1CC2(C)OC1(C(=O)NC)C(=O)N2C| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.28 | Num_heavy_atoms: | 17 |
| TPSA: | 67.87 | NumAromaticRings: | 0 |
