Glycoside
GD014929
Name:
NoneFormula:
C26H33O11NSmiles:
CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CC(=O)CCCc2ccccc2)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)CC(=O)CCCc1ccccc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.54 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 12 |
| MolWt: | 535.55 | Num_heavy_atoms: | 38 |
| TPSA: | 160.6 | 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 |
AD10925
Formula: C12H15O2N
Smiles:
NC(=O)CC(=O)CCCc1ccccc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 205.26 | Num_heavy_atoms: | 15 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
