Glycoside
GD085453
Name:
NoneFormula:
C21H24O6N2Smiles:
COc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)Nc3ccccc3)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)Nc1ccccc1.CNC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 400.43 | Num_heavy_atoms: | 29 |
| TPSA: | 117.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD05627
Formula: C9H11O2N
Smiles:
CNC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD19580
Formula: C8H9ON
Smiles:
CC(=O)Nc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
