Glycoside
GD148724
Name:
Machilaminoside BFormula:
C46H65O16N5Smiles:
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(Nc3ncnc4c3ncn4C3OC(CO)C(O)C3O)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(Nc3ncnc4c3N=C[N]4)C(C)(C)O)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 8 |
| HBD: | 11 | FractionCSP3: | 0.74 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 12 |
| MolWt: | 944.05 | Num_heavy_atoms: | 67 |
| TPSA: | 336.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD59505
Formula: C35H46O7N5
Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C(=O)CC(Nc3ncnc4c3N=C[N]4)C(C)(C)O)C(O)CC12C| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.66 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 7 |
| MolWt: | 648.78 | Num_heavy_atoms: | 47 |
| TPSA: | 196.4 | NumAromaticRings: | 1 |
