Glycoside
GD126447
Name:
Notonesomycin AFormula:
C68H111O30NSSmiles:
CCC(OC1CC(OC(=O)c2ccc(NC)c(OC3CCC(O)C(C)O3)c2)C(OC)C(C)O1)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CCCCC(C)C(O)C(O)C2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CCCC(O)C3OC3C1C)CC(OS(=O)(=O)O)C2OAglycone:
CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CCCCC(C)C(O)C(O)C2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CCCC(O)C3OC3C1C)CC(OS(=O)(=O)O)C2O.CNc1ccc(C(=O)O)cc1OC1CCC(O)C(C)O1Sugarmoiety:
COC1C(O)CC(O)OC1COther Identifiers
Properties
| HBA: | 31 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.82 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 20 |
| MolWt: | 1454.68 | Num_heavy_atoms: | 100 |
| TPSA: | 482.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD51165
Formula: C47H82O23S
Smiles:
CCC(O)C(C)C(O)C(C)C(O)C(C)C1OC(=O)C=CCC(O)CC(O)CCCCC(C)C(O)C(O)C2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CCCC(O)C3OC3C1C)CC(OS(=O)(=O)O)C2O| HBA: | 23 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.89 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 1047.22 | Num_heavy_atoms: | 71 |
| TPSA: | 397.79 | NumAromaticRings: | 0 |
AD51166
Formula: C14H19O5N
Smiles:
CNc1ccc(C(=O)O)cc1OC1CCC(O)C(C)O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 4 |
| MolWt: | 281.31 | Num_heavy_atoms: | 20 |
| TPSA: | 88.02 | NumAromaticRings: | 1 |
