Glycoside
GD124775
Name:
Arabidopside CFormula:
C49H76O17Smiles:
CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)OCC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)OC(=O)CCCCCC1C=CC(=O)C1CC=CCCAglycone:
CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCC1C=CC(=O)C1CC=CCCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.76 |
| AlogP: | 3.22 | Num_rotatable_bonds: | 30 |
| MolWt: | 937.13 | Num_heavy_atoms: | 66 |
| TPSA: | 265.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD01222
Formula: C37H56O7
Smiles:
CCC=CCC1C(=O)C=CC1CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCC1C=CC(=O)C1CC=CCC| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 7.57 | Num_rotatable_bonds: | 24 |
| MolWt: | 612.85 | Num_heavy_atoms: | 44 |
| TPSA: | 106.97 | NumAromaticRings: | 0 |
