Glycoside
GD023120
Name:
NoneFormula:
C68H130O13Smiles:
CCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCC)CCCCCCCCCCCCC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)OC.CCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)OCSugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 15.74 | Num_rotatable_bonds: | 56 |
| MolWt: | 1155.77 | Num_heavy_atoms: | 81 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD15585
Formula: C29H58O2
Smiles:
CCCCCCCCCCCCCC(CCCCCCCCCCCCC)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.97 |
| AlogP: | 10.18 | Num_rotatable_bonds: | 25 |
| MolWt: | 438.78 | Num_heavy_atoms: | 31 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
