Glycoside
GD001571
Name:
NoneFormula:
C15H21O6N5Smiles:
CCCCC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21Aglycone:
CCCCC(=O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 6 |
| MolWt: | 367.36 | Num_heavy_atoms: | 26 |
| TPSA: | 165.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD00207
Formula: C5H4ON5
Smiles:
Nc1nc2c(c(=O)[nH]1)N=C[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.23 | NumAromaticRings: | 1 |
AD01564
Formula: C5H10O2
Smiles:
CCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
