Glycoside
GD028263
Name:
NoneFormula:
C20H26O7N2Smiles:
CO[C@@H]1O[C@H](C[C@H](C#Cc2cccc(C(N)=O)c2)CC[C@H](N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CC(C#Cc1cccc(C(N)=O)c1)CCC(N)C(=O)OSugarmoiety:
COC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 406.44 | Num_heavy_atoms: | 29 |
| TPSA: | 165.33 | NumAromaticRings: | 1 |
Unique Aglycone
AD07779
Formula: C15H18O3N2
Smiles:
CC(C#Cc1cccc(C(N)=O)c1)CCC(N)C(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.32 | Num_heavy_atoms: | 20 |
| TPSA: | 106.41 | NumAromaticRings: | 1 |
