Glycoside
GD011506
Name:
PUMILOSIDEFormula:
C26H28O10N2Smiles:
C=C[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5ccccc5c(=O)c4CN3C(=O)C2=C(O)O[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC1C(O)OC(O)=C2C(=O)N3Cc4c([nH]c5ccccc5c4=O)C3CC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.46 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 528.51 | Num_heavy_atoms: | 38 |
| TPSA: | 182.01 | NumAromaticRings: | 2 |
Unique Aglycone
AD08790
Formula: C20H18O5N2
Smiles:
C=CC1C(O)OC(O)=C2C(=O)N3Cc4c([nH]c5ccccc5c4=O)C3CC21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.3 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 1 |
| MolWt: | 366.37 | Num_heavy_atoms: | 27 |
| TPSA: | 102.86 | NumAromaticRings: | 2 |
