Glycoside
GD147790
Name:
PumilosideFormula:
C25H26O9N2Smiles:
C=CC1C(OC2OC(O)C(O)C(O)C2O)OC=C2C(=O)N3Cc4c([nH]c5ccccc5c4=O)C3CC21Aglycone:
C=CC1C(O)OC=C2C(=O)N3Cc4c([nH]c5ccccc5c4=O)C3CC21Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 498.49 | Num_heavy_atoms: | 36 |
| 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 |
