Glycoside
GD036368
Name:
NoneFormula:
C41H34O18N2Smiles:
CC[C@]1(O)C[C@H](O[C@@H]2C[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=OAglycone:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O.COC(=O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1Sugarmoiety:
OCC1OCC(O)O1Other Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 4.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 842.72 | Num_heavy_atoms: | 61 |
| TPSA: | 298.7 | NumAromaticRings: | 4 |
Unique Aglycone
AD04460
Formula: C7H5O4N
Smiles:
O=C(O)c1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.12 | Num_heavy_atoms: | 12 |
| TPSA: | 80.44 | NumAromaticRings: | 1 |
AD07624
Formula: C22H20O9
Smiles:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 428.39 | Num_heavy_atoms: | 31 |
| TPSA: | 161.59 | NumAromaticRings: | 2 |
AD16164
Formula: C8H7O4N
Smiles:
COC(=O)c1ccc([N+](=O)[O-])cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 181.15 | Num_heavy_atoms: | 13 |
| TPSA: | 69.44 | NumAromaticRings: | 1 |
