Glycoside
GD028142
Name:
NoneFormula:
C28H36O7NClSSmiles:
CS[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(OCCCC(=O)NC(C)(C)CO)cc3)c2)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)(CO)NC(=O)CCCOc1ccc(Cc2ccccc2Cl)cc1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 11 |
| MolWt: | 554.11 | Num_heavy_atoms: | 37 |
| TPSA: | 128.48 | NumAromaticRings: | 2 |
Unique Aglycone
AD18424
Formula: C22H26O3NCl
Smiles:
CC(C)(CO)NC(=O)CCCOc1ccc(Cc2ccccc2Cl)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 3.98 | Num_rotatable_bonds: | 9 |
| MolWt: | 375.9 | Num_heavy_atoms: | 26 |
| TPSA: | 58.56 | NumAromaticRings: | 2 |
