Glycoside
GD107297
Name:
NoneFormula:
C24H30O12N2Smiles:
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@@H](NC(=O)CNC(=O)OCc2ccccc2)[C@@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)CNC(=O)OCc1ccccc1Sugarmoiety:
CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 10 |
| MolWt: | 538.51 | Num_heavy_atoms: | 38 |
| TPSA: | 181.86 | 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 |
AD30336
Formula: C10H12O3N2
Smiles:
NC(=O)CNC(=O)OCc1ccccc1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.22 | Num_heavy_atoms: | 15 |
| TPSA: | 81.42 | NumAromaticRings: | 1 |
