Glycoside
GD001613
Name:
NoneFormula:
C23H25O13N5Smiles:
CO[C@H]1[C@H](O)[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1[C@H](O[C@@H]1OC(C(=O)Nc2ccc([N+](=O)[O-])cc2)=C[C@H](O)[C@H]1O)C(N)=OAglycone:
NC(=O)COC1OC(C(=O)Nc2ccc([N+](=O)[O-])cc2)=CC(O)C1O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 579.48 | Num_heavy_atoms: | 41 |
| TPSA: | 267.8 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD01600
Formula: C14H15O8N3
Smiles:
NC(=O)COC1OC(C(=O)Nc2ccc([N+](=O)[O-])cc2)=CC(O)C1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 353.29 | Num_heavy_atoms: | 25 |
| TPSA: | 174.25 | NumAromaticRings: | 1 |
