Glycoside
GD085219
Name:
NoneFormula:
C17H23O7N5Smiles:
C=CCOC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OCCOCAglycone:
C=CCOC(=O)Nc1ncnc2c1N=C[N]2.COCCOSugarmoiety:
COCCOC(O)C(O)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 9 |
| MolWt: | 409.4 | Num_heavy_atoms: | 29 |
| 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 |
AD33117
Formula: C9H8O2N5
Smiles:
C=CCOC(=O)Nc1ncnc2c1N=C[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 218.2 | Num_heavy_atoms: | 16 |
| TPSA: | 90.57 | NumAromaticRings: | 1 |
