Glycoside
GD148548
Name:
16-O-(2'',3'',4'',6'-Tetra-O-Acetyl-Î’-Cellobiosyl)-2-Hydroxydecanoic AcidFormula:
C36H60O18Smiles:
CC(=O)OCC1OC(OCCCCCCCCCCCCCCC(O)C(=O)O)C(O)C(O)C1OC1OC(CO)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.O=C(O)C(O)CCCCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(CO)OC(OC2C(O)OC(O)C(O)C2O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 25 |
| MolWt: | 780.86 | Num_heavy_atoms: | 54 |
| TPSA: | 260.34 | 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 |
AD59443
Formula: C16H32O4
Smiles:
O=C(O)C(O)CCCCCCCCCCCCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.94 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 15 |
| MolWt: | 288.43 | Num_heavy_atoms: | 20 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
