Glycoside
GD022744
Name:
TYRIANTHIN 8Formula:
C45H76O20Smiles:
CC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@H](C)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]1OC(=O)CCCCCCCCCC(CCCCC)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]1O2Aglycone:
CC=C(C)C(=O)OC1C2OC(C)C(O)C1OC(=O)CCCCCCCCCC(CCCCC)OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O2Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 937.08 | Num_heavy_atoms: | 65 |
| TPSA: | 288.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD15382
Formula: C39H66O16
Smiles:
CC=C(C)C(=O)OC1C2OC(C)C(O)C1OC(=O)CCCCCCCCCC(CCCCC)OC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O2| HBA: | 16 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 790.94 | Num_heavy_atoms: | 55 |
| TPSA: | 229.36 | NumAromaticRings: | 0 |
