Glycoside
GD135232
Name:
Cucurbitaglycoside BFormula:
C41H57O12N5Smiles:
CC1(C)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(Nc3ncnc4[nH]cnc34)C(C)(C)O)C(O)CC12CAglycone:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(Nc3ncnc4[nH]cnc34)C(C)(C)O)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.71 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 10 |
| MolWt: | 811.93 | Num_heavy_atoms: | 58 |
| TPSA: | 277.77 | NumAromaticRings: | 2 |
Unique Aglycone
AD54686
Formula: C35H47O7N5
Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(Nc3ncnc4[nH]cnc34)C(C)(C)O)C(O)CC12C| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.66 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 7 |
| MolWt: | 649.79 | Num_heavy_atoms: | 47 |
| TPSA: | 198.62 | NumAromaticRings: | 2 |
