Glycoside
GD131633
Name:
2-[(5,6-dihydroxycyclohex-3-en-1-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C21H26O10Smiles:
O=C(C=Cc1ccc(O)cc1)OC1C(OC2CC=CC(O)C2O)OC(CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)cc1.OC1C=CCC(O)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.18 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | 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 |
AD53316
Formula: C6H10O3
Smiles:
OC1C=CCC(O)C1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
