Glycoside
GD002170
Name:
CAMINOSIDES BFormula:
C51H92O21Smiles:
CCCCCCCCC[C@H](CCCCCCCC(C)=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H](OCCCC)[C@H](OC(=O)CCC)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCC(=O)O.CCCCCCCCCC(O)CCCCCCCC(C)=O.CCCCOSugarmoiety:
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: | 21 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.96 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 33 |
| MolWt: | 1041.28 | Num_heavy_atoms: | 72 |
| TPSA: | 308.51 | 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 |
AD00936
Formula: C4H10O
Smiles:
CCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | 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 |
