Glycoside
GD103810
Name:
NoneFormula:
C21H25O10N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ccc(OCC#N)cn2)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.N#CCOc1ccc(N)nc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 479.44 | Num_heavy_atoms: | 34 |
| TPSA: | 172.37 | 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 |
AD26725
Formula: C7H7ON3
Smiles:
N#CCOc1ccc(N)nc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 149.15 | Num_heavy_atoms: | 11 |
| TPSA: | 71.93 | NumAromaticRings: | 1 |
