Glycoside
GD038795
Name:
cymal-4Formula:
C22H40O11Smiles:
OC[C@H]1O[C@H](O[C@H]2[C@@H](CO)O[C@H](OCCCCC3CCCCC3)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
OCCCCC1CCCCC1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 480.55 | Num_heavy_atoms: | 33 |
| TPSA: | 178.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD24144
Formula: C10H20O
Smiles:
OCCCCC1CCCCC1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 4 |
| MolWt: | 156.27 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
