Glycoside
GD006889
Name:
RENIEROSIDE B3Formula:
C52H95O9NSmiles:
CCCCCCC=CCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)C=CCCC=C(C)C=CCCCCCCCAglycone:
CCCCCCC=CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=C(C)C=CCCCCCCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 10.37 | Num_rotatable_bonds: | 41 |
| MolWt: | 878.33 | Num_heavy_atoms: | 62 |
| TPSA: | 168.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD05653
Formula: C46H85O4N
Smiles:
CCCCCCC=CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=C(C)C=CCCCCCCC| HBA: | 5 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.8 |
| AlogP: | 12.54 | Num_rotatable_bonds: | 38 |
| MolWt: | 716.19 | Num_heavy_atoms: | 51 |
| TPSA: | 89.79 | NumAromaticRings: | 0 |
