Glycoside
GD115870
Name:
NoneFormula:
C27H35O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)O)C1CC1C2=C(CCN1C)c1ccccc1[NH2+]2Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1CC1C2=C(CCN1C)c1ccccc1[NH2+]2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 7 |
| MolWt: | 531.58 | Num_heavy_atoms: | 38 |
| TPSA: | 165.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD45916
Formula: C21H25O4N2
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1CC1C2=C(CCN1C)c1ccccc1[NH2+]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 369.44 | Num_heavy_atoms: | 27 |
| TPSA: | 86.61 | NumAromaticRings: | 1 |
