Glycoside
GD148544
Name:
Caminoside DFormula:
C55H96O23Smiles:
CCCCCCCCCC(CCCCCCCC(C)=O)OC1OC(CO)C(O)C(O)C1OC1OC(COC2OC(C)C(O)C(O)C2O)C(OC(=O)CCC)C(OC(=O)CCC)C1OC1OC(C)C(O)C(OC(=O)CCC)C1OAglycone:
CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCCCCCCCC(O)CCCCCCCC(C)=OSugarmoiety:
CC1OC(OCC2OC(OC3C(O)OC(CO)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 35 |
| MolWt: | 1125.35 | Num_heavy_atoms: | 78 |
| TPSA: | 331.65 | NumAromaticRings: | 0 |
Unique Aglycone
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD02100
Formula: C19H38O2
Smiles:
CCCCCCCCCC(O)CCCCCCCC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.95 |
| AlogP: | 5.81 | Num_rotatable_bonds: | 16 |
| MolWt: | 298.51 | Num_heavy_atoms: | 21 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
