Glycoside
GD036886
Name:
NoneFormula:
C21H24O4N4Smiles:
Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2cccc3c2CNCC3)[C@H](O)[C@H]1OAglycone:
Cc1ncnc2c1C=C[N]2.OCc1cccc2c1CNCC2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.45 | Num_heavy_atoms: | 29 |
| TPSA: | 112.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD00535
Formula: C7H6N3
Smiles:
Cc1ncnc2c1C=C[N]2| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 0 |
| MolWt: | 132.15 | Num_heavy_atoms: | 10 |
| TPSA: | 39.88 | NumAromaticRings: | 1 |
AD23256
Formula: C10H13ON
Smiles:
OCc1cccc2c1CNCC2| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
