Glycoside
GD147429
Name:
2-[6-ethenyl-2-(methoxycarbonyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)-3-(3-phenylpropyl)oxan-2-yl]oxy}cyclohex-2-en-1-yl]acetic acidFormula:
C27H36O10Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2(O)CCCc2ccccc2)CC=C(C(=O)OC)C1CC(=O)OAglycone:
C=CC1C(O)CC=C(C(=O)OC)C1CC(=O)O.CCCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 11 |
| MolWt: | 520.58 | Num_heavy_atoms: | 37 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD05775
Formula: C9H12
Smiles:
CCCc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.33 |
| AlogP: | 2.64 | Num_rotatable_bonds: | 2 |
| MolWt: | 120.19 | Num_heavy_atoms: | 9 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD47585
Formula: C12H16O5
Smiles:
C=CC1C(O)CC=C(C(=O)OC)C1CC(=O)O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 4 |
| MolWt: | 240.25 | Num_heavy_atoms: | 17 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
