Glycoside
GD014613
Name:
NoneFormula:
C23H32O8N2Smiles:
CC(C=CC(=O)NO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=C[C@H](C)C(=O)c1ccc(N(C)C)cc1Aglycone:
CC(C=CC(=O)NO)=CC(C)C(=O)c1ccc(N(C)C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.48 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 464.52 | Num_heavy_atoms: | 33 |
| TPSA: | 148.79 | NumAromaticRings: | 1 |
Unique Aglycone
AD10722
Formula: C17H22O3N2
Smiles:
CC(C=CC(=O)NO)=CC(C)C(=O)c1ccc(N(C)C)cc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 302.37 | Num_heavy_atoms: | 22 |
| TPSA: | 69.64 | NumAromaticRings: | 1 |
