Glycoside
GD028943
Name:
NoneFormula:
C29H28O7N6Smiles:
COC(=O)[C@H](Cc1ccccc1)NC(=O)C=C[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](O)[C@H]1OAglycone:
C=CC(=O)NC(Cc1ccccc1)C(=O)OC.O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 9 |
| MolWt: | 572.58 | Num_heavy_atoms: | 42 |
| TPSA: | 177.79 | NumAromaticRings: | 4 |
Unique Aglycone
AD00783
Formula: C12H8ON5
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 238.23 | Num_heavy_atoms: | 18 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
AD06484
Formula: C13H15O3N
Smiles:
C=CC(=O)NC(Cc1ccccc1)C(=O)OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 233.27 | Num_heavy_atoms: | 17 |
| TPSA: | 55.4 | NumAromaticRings: | 1 |
