Glycoside
GD001168
Name:
TRICOLORIN JFormula:
C68H120O30Smiles:
CCCCC[C@@H](CCCCCCCCCC(=O)OC[C@H]1O[C@@H]2O[C@H]3[C@@H](O[C@@H](C)[C@@H](O)[C@H]3O)O[C@H](CCCCC)CCCCCCCCCC(=O)O[C@@H]3[C@@H](O[C@H]2[C@H](O)[C@H]1O)O[C@H](C)[C@H](O)[C@H]3O)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCC(O)CCCCCCCCCC(=O)OCC1OC2OC3C(OC(CCCCC)CCCCCCCCCC(=O)OC4C(OC(C)C(O)C4O)OC2C(O)C1O)OC(C)C(O)C3OSugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 7 |
| HBD: | 14 | FractionCSP3: | 0.97 |
| AlogP: | 1.06 | Num_rotatable_bonds: | 27 |
| MolWt: | 1417.68 | Num_heavy_atoms: | 98 |
| TPSA: | 446.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD01217
Formula: C50H90O17
Smiles:
CCCCCC(O)CCCCCCCCCC(=O)OCC1OC2OC3C(OC(CCCCC)CCCCCCCCCC(=O)OC4C(OC(C)C(O)C4O)OC2C(O)C1O)OC(C)C(O)C3O| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.96 |
| AlogP: | 5.53 | Num_rotatable_bonds: | 20 |
| MolWt: | 963.25 | Num_heavy_atoms: | 67 |
| TPSA: | 249.59 | NumAromaticRings: | 0 |
