Glycoside
GD013614
Name:
NoneFormula:
C31H43O15NSmiles:
CCO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(=O)c1ccc2ccccc2c1Aglycone:
NC(=O)c1ccc2ccccc2c1Sugarmoiety:
CCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.65 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 10 |
| MolWt: | 669.68 | Num_heavy_atoms: | 47 |
| TPSA: | 246.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00078
Formula: C11H9ON
Smiles:
NC(=O)c1ccc2ccccc2c1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 171.2 | Num_heavy_atoms: | 13 |
| TPSA: | 43.09 | NumAromaticRings: | 2 |
