Glycoside
GD019086
Name:
NoneFormula:
C28H35O6NSSmiles:
CS[C@@H]1O[C@H](c2ccc(C)c(Cc3ccc(CCCC4=NC(C)(C)C(=O)O4)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
Cc1ccccc1Cc1ccc(CCCC2=NC(C)(C)C(=O)O2)cc1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 513.66 | Num_heavy_atoms: | 36 |
| TPSA: | 108.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD13371
Formula: C22H25O2N
Smiles:
Cc1ccccc1Cc1ccc(CCCC2=NC(C)(C)C(=O)O2)cc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 335.45 | Num_heavy_atoms: | 25 |
| TPSA: | 38.66 | NumAromaticRings: | 2 |
