Glycoside
GD019541
Name:
5-CarboxystrictosidineFormula:
C28H34O11N2Smiles:
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]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21Aglycone:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 574.58 | Num_heavy_atoms: | 41 |
| TPSA: | 200.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD09569
Formula: C22H24O6N2
Smiles:
C=CC1C(O)OC=C(C(=O)OC)C1CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21| HBA: | 8 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 5 |
| MolWt: | 412.44 | Num_heavy_atoms: | 30 |
| TPSA: | 120.88 | NumAromaticRings: | 2 |
