Glycoside
GD142732
Name:
2-(6-ethenyl-5-{[3-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(methoxycarbonyl)cyclohex-2-en-1-yl)acetic acidFormula:
C20H30O10Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2(O)CC)CC=C(C(=O)OC)C1CC(=O)OAglycone:
C=CC1C(O)CC=C(C(=O)OC)C1CC(=O)OSugarmoiety:
CCC1(O)C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 430.45 | Num_heavy_atoms: | 30 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
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 |
