Glycoside
GD127653
Name:
3,5-dihydroxy-2-[4-(4-hydroxyphenyl)but-2-enoyl]-4,6-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-oneFormula:
C28H34O15Smiles:
O=C(C=CCc1ccc(O)cc1)C1=C(O)C(C2OC(CO)C(O)C(O)C2O)C(O)=C(C2OC(CO)C(O)C(O)C2O)C1=OAglycone:
O=C(C=CCc1ccc(O)cc1)C1=C(O)CC(O)=CC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.5 |
| AlogP: | -3.43 | Num_rotatable_bonds: | 8 |
| MolWt: | 610.57 | Num_heavy_atoms: | 43 |
| TPSA: | 275.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD51693
Formula: C16H14O5
Smiles:
O=C(C=CCc1ccc(O)cc1)C1=C(O)CC(O)=CC1=O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
