Glycoside
GD103901
Name:
NoneFormula:
C22H25O10N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.N#Cc1cccc(NC(N)=O)c1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 491.45 | Num_heavy_atoms: | 35 |
| TPSA: | 179.35 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD43931
Formula: C8H7ON3
Smiles:
N#Cc1cccc(NC(N)=O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 78.91 | NumAromaticRings: | 1 |
