Glycoside
GD149476
Name:
Fumigatoside CFormula:
C30H33O9N5Smiles:
CC1N=C(O)C(CC2(O)c3ccccc3N3C(=O)C(C)N(C4OC(CO)C(O)C(O)C4O)C32)n2c1nc1ccccc1c2=OAglycone:
CC1NC2N(C1=O)c1ccccc1C2(O)CC1C(O)=NC(C)c2nc3ccccc3c(=O)n21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 607.62 | Num_heavy_atoms: | 44 |
| TPSA: | 201.41 | NumAromaticRings: | 3 |
Unique Aglycone
AD59767
Formula: C24H23O4N5
Smiles:
CC1NC2N(C1=O)c1ccccc1C2(O)CC1C(O)=NC(C)c2nc3ccccc3c(=O)n21| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 445.48 | Num_heavy_atoms: | 33 |
| TPSA: | 120.05 | NumAromaticRings: | 3 |
