Glycoside
GD053238
Name:
NoneFormula:
C13H19O6N5Smiles:
COCCO[C@H]1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@H](CO)[C@H]1OAglycone:
COCCO.Nc1nc2c(c(=O)[nH]1)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -2.02 | Num_rotatable_bonds: | 6 |
| MolWt: | 341.32 | Num_heavy_atoms: | 24 |
| TPSA: | 157.74 | 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 |
AD00384
Formula: C3H8O2
Smiles:
COCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
