Glycoside
GD000133
Name:
NoneFormula:
C49H88O15Smiles:
CCCCCCC=CCCCCCCCC(=O)OCC(CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCC=CCCCCCCCCAglycone:
CCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.88 |
| AlogP: | 6.38 | Num_rotatable_bonds: | 38 |
| MolWt: | 917.23 | Num_heavy_atoms: | 64 |
| TPSA: | 231.13 | NumAromaticRings: | 0 |
Unique Aglycone
AD00162
Formula: C37H68O5
Smiles:
CCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 10.73 | Num_rotatable_bonds: | 32 |
| MolWt: | 592.95 | Num_heavy_atoms: | 42 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
