Glycoside
GD015764
Name:
Firmacoside BFormula:
C39H72O14Smiles:
CCCCCCCCCCCCCCCCCCCCCCO[C@@H]1OC[C@H](O[C@@H]2OC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H](OC(C)=O)[C@H]2O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCCCCCCCCCCCCCCCOSugarmoiety:
CC(=O)OC1C(OC2OCC(O)C(O)C2O)COC(OC2COC(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.97 |
| AlogP: | 3.76 | Num_rotatable_bonds: | 27 |
| MolWt: | 764.99 | Num_heavy_atoms: | 53 |
| TPSA: | 203.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD11418
Formula: C22H46O
Smiles:
CCCCCCCCCCCCCCCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 7.8 | Num_rotatable_bonds: | 20 |
| MolWt: | 326.61 | Num_heavy_atoms: | 23 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
