Glycoside
GD137977
Name:
PumilosideFormula:
C26H28O9N2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3Cc4c([nH]c5ccccc5c4=O)C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3Cc4c([nH]c5ccccc5c4=O)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.46 |
| AlogP: | -0.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 512.52 | Num_heavy_atoms: | 37 |
| TPSA: | 161.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD55714
Formula: C20H18O4N2
Smiles:
C=CC1C(O)OC=C2C(=O)N3Cc4c([nH]c5ccccc5c4=O)C3CC21| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 350.37 | Num_heavy_atoms: | 26 |
| TPSA: | 82.63 | NumAromaticRings: | 2 |
