Glycoside
GD030764
Name:
NoneFormula:
C33H28O15N4Smiles:
Nc1cccc2nc3c(cc12)Cn1c-3cc2c(c1=O)COC(=O)[C@@]2(O)CC(=O)OCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1Aglycone:
Nc1cccc2nc3c(cc12)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC(=O)OCc1ccc(O)c([N+](=O)[O-])c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | -0.44 | Num_rotatable_bonds: | 8 |
| MolWt: | 720.6 | Num_heavy_atoms: | 52 |
| TPSA: | 293.33 | NumAromaticRings: | 4 |
Unique Aglycone
AD19901
Formula: C27H20O9N4
Smiles:
Nc1cccc2nc3c(cc12)Cn1c-3cc2c(c1=O)COC(=O)C2(O)CC(=O)OCc1ccc(O)c([N+](=O)[O-])c1| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 544.48 | Num_heavy_atoms: | 40 |
| TPSA: | 197.11 | NumAromaticRings: | 4 |
