Glycoside
GD139999
Name:
4-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C37H54O16Smiles:
CC(C)=CCCC(C)=CCOC1OC(CO)C(OC(=O)C=Cc2ccc(O)cc2)C(OC2OC(C)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C1OAglycone:
CC(C)=CCCC(C)=CCO.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
CC1OC(OC2C(O)C(C)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.65 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 14 |
| MolWt: | 754.82 | Num_heavy_atoms: | 53 |
| TPSA: | 243.52 | NumAromaticRings: | 1 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD04659
Formula: C10H18O
Smiles:
CC(C)=CCCC(C)=CCO| 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 |
