Glycoside
GD101450
Name:
NoneFormula:
C22H29O10N3Smiles:
CC(=O)NCc1ccc(N[C@H]2[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)nc1Aglycone:
CC(=O)NCc1ccc(N)nc1.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 9 |
| MolWt: | 495.49 | Num_heavy_atoms: | 35 |
| TPSA: | 168.45 | 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 |
AD42945
Formula: C8H11ON3
Smiles:
CC(=O)NCc1ccc(N)nc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.2 | Num_heavy_atoms: | 12 |
| TPSA: | 68.01 | NumAromaticRings: | 1 |
