Glycoside
GD102249
Name:
NoneFormula:
C20H29O7N5Smiles:
COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NC(=O)OC3CCCCC3)ncnc21Aglycone:
COCCO.O=C(Nc1ncnc2c1N=C[N]2)OC1CCCCC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 451.48 | Num_heavy_atoms: | 32 |
| TPSA: | 150.08 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD42456
Formula: C12H14O2N5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)OC1CCCCC1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.28 | Num_heavy_atoms: | 19 |
| TPSA: | 90.57 | NumAromaticRings: | 1 |
