Glycoside
GD006885
Name:
NoneFormula:
C32H41O12N4ClSSmiles:
COc1cc(NC(=O)CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1Aglycone:
COc1cc(NC(=O)CO)c(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 729.2 | Num_heavy_atoms: | 49 |
| TPSA: | 242.08 | NumAromaticRings: | 2 |
Unique Aglycone
AD05649
Formula: C26H31O7N4ClS
Smiles:
COc1cc(NC(=O)CO)c(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 10 |
| MolWt: | 567.06 | Num_heavy_atoms: | 38 |
| TPSA: | 162.93 | NumAromaticRings: | 2 |
