Glycoside
GD115713
Name:
2-(hydroxymethyl)-6-[(3,10,11-trihydroxy-3,7,11-trimethyldodeca-1,6-dien-5-yl)oxy]oxane-3,4,5-triolFormula:
C21H38O9Smiles:
C=CC(C)(O)CC(C=C(C)CCC(O)C(C)(C)O)OC1OC(CO)C(O)C(O)C1OAglycone:
C=CC(C)(O)CC(O)C=C(C)CCC(O)C(C)(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 11 |
| MolWt: | 434.53 | Num_heavy_atoms: | 30 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD45829
Formula: C15H28O4
Smiles:
C=CC(C)(O)CC(O)C=C(C)CCC(O)C(C)(C)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 272.38 | Num_heavy_atoms: | 19 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
