Glycoside
GD011890
Name:
NoneFormula:
C72H138O13Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](COC(=O)C(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OC.CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)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: | 17.3 | Num_rotatable_bonds: | 60 |
| MolWt: | 1211.88 | Num_heavy_atoms: | 85 |
| TPSA: | 201.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD09019
Formula: C31H62O2
Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.97 |
| AlogP: | 10.96 | Num_rotatable_bonds: | 27 |
| MolWt: | 466.84 | Num_heavy_atoms: | 33 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
