Glycoside
GD118098
Name:
Fumigatoside BFormula:
C30H33O10N5Smiles:
CC1C(=O)N2c3ccccc3C(O)(CC3C(O)=NC(C)(O)c4nc5ccccc5c(=O)n43)C2N1C1OC(CO)C(O)C(O)C1OAglycone:
CC1NC2N(C1=O)c1ccccc1C2(O)CC1C(O)=NC(C)(O)c2nc3ccccc3c(=O)n21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.47 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 623.62 | Num_heavy_atoms: | 45 |
| TPSA: | 221.64 | NumAromaticRings: | 3 |
Unique Aglycone
AD47183
Formula: C24H23O5N5
Smiles:
CC1NC2N(C1=O)c1ccccc1C2(O)CC1C(O)=NC(C)(O)c2nc3ccccc3c(=O)n21| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 461.48 | Num_heavy_atoms: | 34 |
| TPSA: | 140.28 | NumAromaticRings: | 3 |
