Glycoside
GD008761
Name:
NoneFormula:
C29H23O9N3Smiles:
O=C(OC[C@@H]1O[C@H](n2ccnc2[N+](=O)[O-])[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=[N+]([O-])C1=NC=C[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 9 |
| MolWt: | 557.52 | Num_heavy_atoms: | 41 |
| TPSA: | 149.09 | NumAromaticRings: | 4 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD04625
Formula: C3H2O2N3
Smiles:
O=[N+]([O-])C1=NC=C[N]1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.07 | Num_heavy_atoms: | 8 |
| TPSA: | 69.6 | NumAromaticRings: | 0 |
