Glycoside
GD032720
Name:
NoneFormula:
C28H34O12N2Smiles:
CCOC(=O)C1=C(C)N(C2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(=O)NC1c1ccccc1Aglycone:
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 9 |
| MolWt: | 590.58 | Num_heavy_atoms: | 42 |
| TPSA: | 173.07 | 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 |
AD20944
Formula: C14H16O3N2
Smiles:
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 67.43 | NumAromaticRings: | 1 |
