Glycoside
GD106361
Name:
NoneFormula:
C31H38O13N2Smiles:
COc1cc2c(cc1OC)CN(C(=O)[C@H](C)N[C@@H](CCc1ccccc1)C(=O)O)[C@H](C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C2Aglycone:
COc1cc2c(cc1OC)CN(C(=O)C(C)NC(CCc1ccccc1)C(=O)O)C(C(=O)O)C2Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 646.65 | Num_heavy_atoms: | 46 |
| TPSA: | 221.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD44159
Formula: C25H30O7N2
Smiles:
COc1cc2c(cc1OC)CN(C(=O)C(C)NC(CCc1ccccc1)C(=O)O)C(C(=O)O)C2| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 470.52 | Num_heavy_atoms: | 34 |
| TPSA: | 125.4 | NumAromaticRings: | 2 |
