Glycoside
GD140301
Name:
partially deglucosylated nudicaulin iFormula:
C29H25O10NSmiles:
OCC1OC(OC23Oc4cc(O)cc(O)c4C2C2=Nc4ccccc4C2=C3c2ccc(O)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(C2=C3C(=Nc4ccccc43)C3c4c(O)cc(O)cc4OC23O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.28 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 4 |
| MolWt: | 547.52 | Num_heavy_atoms: | 40 |
| TPSA: | 181.66 | NumAromaticRings: | 3 |
Unique Aglycone
AD50338
Formula: C23H15O5N
Smiles:
Oc1ccc(C2=C3C(=Nc4ccccc43)C3c4c(O)cc(O)cc4OC23O)cc1| HBA: | 6 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.09 |
| AlogP: | 3.68 | Num_rotatable_bonds: | 1 |
| MolWt: | 385.38 | Num_heavy_atoms: | 29 |
| TPSA: | 102.51 | NumAromaticRings: | 3 |
