Glycoside
GD112925
Name:
NoneFormula:
C33H23O13N3Smiles:
O=C(O[C@H]1CO[C@@H](n2c(=O)oc3cc([N+](=O)[O-])c([N+](=O)[O-])cc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1Aglycone:
O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2o1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 0 | FractionCSP3: | 0.15 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 9 |
| MolWt: | 669.56 | Num_heavy_atoms: | 49 |
| TPSA: | 209.55 | NumAromaticRings: | 5 |
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 |
AD44796
Formula: C7H3O6N3
Smiles:
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2o1| HBA: | 9 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 225.12 | Num_heavy_atoms: | 16 |
| TPSA: | 132.28 | NumAromaticRings: | 2 |
