Glycoside
GD027510
Name:
NoneFormula:
C44H54O18N2Smiles:
COc1c(O[C@@H]2OC(C)(C)[C@H](OC)[C@H](O)[C@H]2O)ccc2cc(NC(=O)CCC=CCCC(=O)Nc3cc4ccc(O[C@@H]5OC(C)(C)[C@H](OC)[C@H](O)[C@H]5O)c(OC)c4oc3=O)c(=O)oc12Aglycone:
COc1c(O)ccc2cc(NC(=O)CCC=CCCC(=O)Nc3cc4ccc(O)c(OC)c4oc3=O)c(=O)oc12Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 16 |
| MolWt: | 898.91 | Num_heavy_atoms: | 64 |
| TPSA: | 273.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD18078
Formula: C28H26O10N2
Smiles:
COc1c(O)ccc2cc(NC(=O)CCC=CCCC(=O)Nc3cc4ccc(O)c(OC)c4oc3=O)c(=O)oc12| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.52 | Num_heavy_atoms: | 40 |
| TPSA: | 177.54 | NumAromaticRings: | 4 |
