Glycoside
GD101960
Name:
NoneFormula:
C21H34O10N2Smiles:
CCCCCCNC(=O)N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
CCCCCCNC(N)=O.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 11 |
| MolWt: | 474.51 | Num_heavy_atoms: | 33 |
| TPSA: | 155.56 | 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 |
AD43168
Formula: C7H16ON2
Smiles:
CCCCCCNC(N)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 144.22 | Num_heavy_atoms: | 10 |
| TPSA: | 55.12 | NumAromaticRings: | 0 |
