Glycoside
GD118642
Name:
3-{4-[2-(4-hydroxyphenyl)ethyl]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}prop-2-enoic acidFormula:
C23H26O9Smiles:
O=C(O)C=Cc1ccc(CCc2ccc(O)cc2)cc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(CCc2ccc(O)cc2)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | 0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 446.45 | Num_heavy_atoms: | 32 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD47459
Formula: C17H16O4
Smiles:
O=C(O)C=Cc1ccc(CCc2ccc(O)cc2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 284.31 | Num_heavy_atoms: | 21 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
