Glycoside
GD016115
Name:
NoneFormula:
C26H27O11N5Smiles:
CC(=O)OC[C@@H]1O[C@H](Nc2ncnc3c2cnn3-c2ccc(C(=O)O)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.Nc1ncnc2c1cnn2-c1ccc(C(=O)O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 9 |
| MolWt: | 585.53 | Num_heavy_atoms: | 42 |
| TPSA: | 207.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD11641
Formula: C12H9O2N5
Smiles:
Nc1ncnc2c1cnn2-c1ccc(C(=O)O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 255.24 | Num_heavy_atoms: | 19 |
| TPSA: | 106.92 | NumAromaticRings: | 3 |
