Glycoside
GD002343
Name:
NoneFormula:
C40H55O9N3SSmiles:
CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@H](c2cccc(NC(=O)N[C@@H]3O[C@H](CO)[C@H](O)[C@H](OCc4ccccc4)[C@H]3O)c2)[C@H]1OAglycone:
CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(N)=O)c2)C1O.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 4.55 | Num_rotatable_bonds: | 14 |
| MolWt: | 753.96 | Num_heavy_atoms: | 53 |
| TPSA: | 177.89 | NumAromaticRings: | 3 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD02245
Formula: C27H39O4N3S
Smiles:
CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2cccc(NC(N)=O)c2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.52 |
| AlogP: | 4.89 | Num_rotatable_bonds: | 9 |
| MolWt: | 501.69 | Num_heavy_atoms: | 35 |
| TPSA: | 112.73 | NumAromaticRings: | 2 |
