Glycoside
GD028023
Name:
JAVANICOSIDE DFormula:
C35H48O17Smiles:
CCC(=CC(=O)O[C@@H]1C(=O)O[C@@H]2C[C@@H]3[C@H](C)C(=O)C(O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C[C@@]3(C)[C@@H]3[C@H](O)[C@H](O)[C@]4(C(=O)OC)OC[C@]32[C@H]14)C(C)(C)OAglycone:
CCC(=CC(=O)OC1C(=O)OC2CC3C(C)C(=O)C(O)=CC3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.77 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 8 |
| MolWt: | 740.75 | Num_heavy_atoms: | 52 |
| TPSA: | 265.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD18348
Formula: C29H38O12
Smiles:
CCC(=CC(=O)OC1C(=O)OC2CC3C(C)C(=O)C(O)=CC3(C)C3C(O)C(O)C4(C(=O)OC)OCC23C14)C(C)(C)O| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 5 |
| MolWt: | 578.61 | Num_heavy_atoms: | 41 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
