Glycoside
GD010381
Name:
RENIEROSIDE A4Formula:
C46H85O9NSmiles:
CCCCCCCC=CC=CCCC=C[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCAglycone:
CCCCCCCC=CC=CCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.85 |
| AlogP: | 8.25 | Num_rotatable_bonds: | 37 |
| MolWt: | 796.18 | Num_heavy_atoms: | 56 |
| TPSA: | 168.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD08027
Formula: C40H75O4N
Smiles:
CCCCCCCC=CC=CCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | 10.43 | Num_rotatable_bonds: | 34 |
| MolWt: | 634.04 | Num_heavy_atoms: | 45 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
