Glycoside
GD156738
Name:
2-[6-ethenyl-2-(methoxycarbonyl)-5-{[3,4,5-trihydroxy-2,6-bis(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-yl]acetic acidFormula:
C19H28O11Smiles:
C=CC1C(OC2(CO)OC(CO)C(O)C(O)C2O)CC=C(C(=O)OC)C1CC(=O)OAglycone:
C=CC1C(O)CC=C(C(=O)OC)C1CC(=O)OSugarmoiety:
OCC1OC(O)(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.68 |
| AlogP: | -2.07 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.42 | Num_heavy_atoms: | 30 |
| TPSA: | 183.21 | 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 |
