Glycoside
GD128988
Name:
1,9-bis(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}non-3-en-5-oneFormula:
C27H34O9Smiles:
O=C(C=CCCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(C=CCCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 502.56 | Num_heavy_atoms: | 36 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD52249
Formula: C21H24O4
Smiles:
O=C(C=CCCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.29 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 9 |
| MolWt: | 340.42 | Num_heavy_atoms: | 25 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
