Glycoside
GD116649
Name:
3-hydroxy-1,9-bis(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}nonan-5-oneFormula:
C27H36O10Smiles:
O=C(CC(O)CCc1ccc(O)cc1)CC(CCc1ccc(O)cc1)OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(CC(O)CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 13 |
| MolWt: | 520.58 | Num_heavy_atoms: | 37 |
| TPSA: | 177.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD46365
Formula: C21H26O5
Smiles:
O=C(CC(O)CCc1ccc(O)cc1)CC(O)CCc1ccc(O)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 2.73 | Num_rotatable_bonds: | 10 |
| MolWt: | 358.43 | Num_heavy_atoms: | 26 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
