Glycoside
GD099327
Name:
NoneFormula:
C19H22O9N4Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccnc(C#N)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.N#Cc1nccc(N)n1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.4 | Num_heavy_atoms: | 32 |
| TPSA: | 176.03 | 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 |
AD25169
Formula: C5H4N4
Smiles:
N#Cc1nccc(N)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 120.11 | Num_heavy_atoms: | 9 |
| TPSA: | 75.59 | NumAromaticRings: | 1 |
