Glycoside
GD012458
Name:
NoneFormula:
C22H27O4N5Smiles:
CC(C)NC(=O)CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1O[C@H](C)[C@H](O)[C@H]1OAglycone:
CC(C)NC(=O)CNc1ncnc2c1C(c1ccccc1)=C[N]2Sugarmoiety:
CC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.41 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 425.49 | Num_heavy_atoms: | 31 |
| TPSA: | 121.53 | NumAromaticRings: | 3 |
Unique Aglycone
AD09393
Formula: C17H18ON5
Smiles:
CC(C)NC(=O)CNc1ncnc2c1C(c1ccccc1)=C[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.24 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 308.37 | Num_heavy_atoms: | 23 |
| TPSA: | 81.01 | NumAromaticRings: | 2 |
