Glycoside
GD067857
Name:
NoneFormula:
C15H17O9NSmiles:
CC(=O)OC[C@H]1O[C@@H](N2C(=O)C=CC2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.O=C1C=CC(=O)N1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 5 |
| MolWt: | 355.3 | Num_heavy_atoms: | 25 |
| TPSA: | 125.51 | NumAromaticRings: | 0 |
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 |
AD16610
Formula: C4H3O2N
Smiles:
O=C1C=CC(=O)N1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -0.8 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 7 |
| TPSA: | 46.17 | NumAromaticRings: | 0 |
