Glycoside
GD143799
Name:
Machilaminoside AFormula:
C37H54O12N2Smiles:
CC1(C)C(=O)C(OC2OC(CO)C(O)C(O)C2O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C3=CC(C(C)(C)O)N=C(O)N3)C(O)CC12CAglycone:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C3=CC(C(C)(C)O)N=C(O)N3)C(O)CC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 6 |
| MolWt: | 718.84 | Num_heavy_atoms: | 51 |
| TPSA: | 238.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD57814
Formula: C31H44O7N2
Smiles:
CC1(C)C(=O)C(O)=CC2C1=CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C3=CC(C(C)(C)O)N=C(O)N3)C(O)CC12C| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | 3.26 | Num_rotatable_bonds: | 3 |
| MolWt: | 556.7 | Num_heavy_atoms: | 40 |
| TPSA: | 159.68 | NumAromaticRings: | 0 |
