Glycoside
GD106775
Name:
NoneFormula:
C28H35O11N2Smiles:
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1[NH2+][C@H](C(=O)O)Cc2c1[nH]c1ccccc21Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1[NH2+]C(C(=O)O)Cc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 8 |
| MolWt: | 575.59 | Num_heavy_atoms: | 41 |
| TPSA: | 204.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD44207
Formula: C22H25O6N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1[NH2+]C(C(=O)O)Cc2c1[nH]c1ccccc21| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 413.45 | Num_heavy_atoms: | 30 |
| TPSA: | 125.46 | NumAromaticRings: | 2 |
