Glycoside
GD107694
Name:
NoneFormula:
C23H27O10N3Smiles:
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1O/N=C1/C(=O)N(C)c2ccccc21Aglycone:
CN1C(=O)C(=NO)c2ccccc21.COC(C)=OSugarmoiety:
CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.48 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 505.48 | Num_heavy_atoms: | 36 |
| TPSA: | 159.13 | 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 |
AD35152
Formula: C9H8O2N2
Smiles:
CN1C(=O)C(=NO)c2ccccc21| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 176.18 | Num_heavy_atoms: | 13 |
| TPSA: | 52.9 | NumAromaticRings: | 1 |
