Glycoside
GD031528
Name:
ARABIDOPSIDE BFormula:
C45H70O12Smiles:
CCC=CC[C@@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC[C@@H]1C=CC(=O)[C@H]1CC=CCCAglycone:
CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC1C=CC(=O)C1CC=CCCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 29 |
| MolWt: | 803.04 | Num_heavy_atoms: | 57 |
| TPSA: | 186.12 | NumAromaticRings: | 0 |
Unique Aglycone
AD12300
Formula: C39H60O7
Smiles:
CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC1C=CC(=O)C1CC=CCC| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 8.35 | Num_rotatable_bonds: | 26 |
| MolWt: | 640.9 | Num_heavy_atoms: | 46 |
| TPSA: | 106.97 | NumAromaticRings: | 0 |
