Glycoside
GD008136
Name:
NoneFormula:
C28H35O11N5Smiles:
CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(C(=O)Nc4cccc5ccccc45)nn3)[C@H]2O)[C@H](O)[C@H]1NC(C)=OAglycone:
O=C(Nc1cccc2ccccc12)C1=C[N]N=N1Sugarmoiety:
COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 9 |
| MolWt: | 617.61 | Num_heavy_atoms: | 44 |
| TPSA: | 226.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD06538
Formula: C13H9ON4
Smiles:
O=C(Nc1cccc2ccccc12)C1=C[N]N=N1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.24 | Num_heavy_atoms: | 18 |
| TPSA: | 67.92 | NumAromaticRings: | 2 |
