Glycoside
GD019796
Name:
NoneFormula:
C20H32O11Smiles:
CC(=O)OCC1OC(OCCCCCCO)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.OCCCCCCOSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 448.47 | Num_heavy_atoms: | 31 |
| TPSA: | 143.89 | 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 |
AD13772
Formula: C6H14O2
Smiles:
OCCCCCCO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 5 |
| MolWt: | 118.18 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
