Glycoside
GD025976
Name:
NoneFormula:
C23H34O10N4Smiles:
C=CCCCCn1cc(CNC(=O)CO[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2O)nn1Aglycone:
C=CCCCCn1cc(CNC(=O)CO)nn1.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.65 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 14 |
| MolWt: | 526.54 | Num_heavy_atoms: | 37 |
| TPSA: | 177.4 | 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 |
AD16536
Formula: C11H18O2N4
Smiles:
C=CCCCCn1cc(CNC(=O)CO)nn1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 8 |
| MolWt: | 238.29 | Num_heavy_atoms: | 17 |
| TPSA: | 80.04 | NumAromaticRings: | 1 |
