Glycoside
GD154317
Name:
2-[(8-{[6-({2-[(3,7-dimethylocta-1,6-dien-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,7-dimethyl-8-oxoocta-1,6-dien-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2,6,6-trimethylocta-2,7-dienoateFormula:
C49H78O18Smiles:
C=CC(C)(C)CCC=C(C)C(=O)OC1C(OC(C)(C=C)CCC=C(C)C(=O)OC2C(C)OC(OC3C(OC(C)(C=C)CCC=C(C)C)OC(CO)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OAglycone:
C=CC(C)(C)CCC=C(C)C(=O)O.C=CC(C)(O)CCC=C(C)C.C=CC(C)(O)CCC=C(C)C(=O)OSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | 2.87 | Num_rotatable_bonds: | 24 |
| MolWt: | 955.15 | Num_heavy_atoms: | 67 |
| TPSA: | 269.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD01642
Formula: C10H16O3
Smiles:
C=CC(C)(O)CCC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD10262
Formula: C10H18O
Smiles:
C=CC(C)(O)CCC=C(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD61312
Formula: C11H18O2
Smiles:
C=CC(C)(C)CCC=C(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 182.26 | Num_heavy_atoms: | 13 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
