Glycoside
GD121998
Name:
1,9-bis(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonane-4,5-dioneFormula:
C27H34O10Smiles:
O=C(CCCc1ccc(O)cc1)C(=O)CC(CCc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(CCCc1ccc(O)cc1)C(=O)CC(O)CCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 13 |
| MolWt: | 518.56 | Num_heavy_atoms: | 37 |
| TPSA: | 173.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD49134
Formula: C21H24O5
Smiles:
O=C(CCCc1ccc(O)cc1)C(=O)CC(O)CCc1ccc(O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 10 |
| MolWt: | 356.42 | Num_heavy_atoms: | 26 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
