Glycoside
GD001969
Name:
RHIZOCHALINFormula:
C34H68O8N2Smiles:
C[C@H](N)[C@H](CCCCCCCCCCCCCCC(=O)CCCCCCC[C@@H](O)[C@H](C)N)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(N)C(O)CCCCCCCCCCCCCCC(=O)CCCCCCCC(O)C(C)NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 28 |
| MolWt: | 632.92 | Num_heavy_atoms: | 44 |
| TPSA: | 188.72 | NumAromaticRings: | 0 |
Unique Aglycone
AD01917
Formula: C28H58O3N2
Smiles:
CC(N)C(O)CCCCCCCCCCCCCCC(=O)CCCCCCCC(O)C(C)N| HBA: | 5 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.96 |
| AlogP: | 6.16 | Num_rotatable_bonds: | 25 |
| MolWt: | 470.78 | Num_heavy_atoms: | 33 |
| TPSA: | 109.57 | NumAromaticRings: | 0 |
