Glycoside
GD010919
Name:
NoneFormula:
C29H27O11N3Smiles:
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3nnc(-c4cccc(C#N)c4)o3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.N#Cc1cccc(-c2nnc(-c3ccc(O)cc3)o2)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.34 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 9 |
| MolWt: | 593.55 | Num_heavy_atoms: | 43 |
| TPSA: | 186.37 | NumAromaticRings: | 3 |
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 |
AD08377
Formula: C15H9O2N3
Smiles:
N#Cc1cccc(-c2nnc(-c3ccc(O)cc3)o2)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 2 |
| MolWt: | 263.26 | Num_heavy_atoms: | 20 |
| TPSA: | 82.94 | NumAromaticRings: | 3 |
