Glycoside
GD001104
Name:
Crepiside GFormula:
C29H34O11Smiles:
C=C1C[C@H](OC(=O)Cc2ccc(O)cc2)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]2C(=C)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C[C@H]12Aglycone:
C=C1CC(OC(=O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 6 |
| MolWt: | 558.58 | Num_heavy_atoms: | 40 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD01149
Formula: C23H24O6
Smiles:
C=C1CC(OC(=O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.39 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 3 |
| MolWt: | 396.44 | Num_heavy_atoms: | 29 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
