Glycoside
GD036307
Name:
NoneFormula:
C20H19O4N5Smiles:
Nc1ncnc2c1ccn2[C@@H]1O[C@H](COc2ccc3cccnc3c2)[C@H](O)[C@H]1OAglycone:
COc1ccc2cccnc2c1.Nc1ncnc2c1C=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 393.4 | Num_heavy_atoms: | 29 |
| TPSA: | 128.54 | NumAromaticRings: | 4 |
Unique Aglycone
AD00138
Formula: C6H5N4
Smiles:
Nc1ncnc2c1C=C[N]2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 133.13 | Num_heavy_atoms: | 10 |
| TPSA: | 65.9 | NumAromaticRings: | 1 |
AD22913
Formula: C10H9ON
Smiles:
COc1ccc2cccnc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.19 | Num_heavy_atoms: | 12 |
| TPSA: | 22.12 | NumAromaticRings: | 2 |
