Glycoside
GD016194
Name:
NoneFormula:
C30H34O7N8Smiles:
CC(=O)N(c1ccc(CC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1)c1ncnc2c1ncn2C1O[C@H](CO)[C@H](O)[C@H]1OAglycone:
CC(=O)N(c1ccc(CC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1)c1ncnc2c1N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 618.65 | Num_heavy_atoms: | 45 |
| TPSA: | 218.05 | NumAromaticRings: | 4 |
Unique Aglycone
AD11694
Formula: C25H25O3N8
Smiles:
CC(=O)N(c1ccc(CC(=O)Nc2ccc(CC(=O)NCCN)cc2)cc1)c1ncnc2c1N=C[N]2| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.2 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 485.53 | Num_heavy_atoms: | 36 |
| TPSA: | 156.77 | NumAromaticRings: | 3 |
