Glycoside
GD119304
Name:
(3,4,5-trihydroxy-6-{3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethyl]phenoxy}oxan-2-yl)methyl 3-(3,4-dihydroxyphenyl)propanoateFormula:
C30H34O12Smiles:
COc1ccc(CCc2cc(O)cc(OC3OC(COC(=O)CCc4ccc(O)c(O)c4)C(O)C(O)C3O)c2)cc1OAglycone:
COC(=O)CCc1ccc(O)c(O)c1.COc1ccc(CCc2cc(O)cc(O)c2)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.37 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 11 |
| MolWt: | 586.59 | Num_heavy_atoms: | 42 |
| TPSA: | 195.6 | NumAromaticRings: | 3 |
Unique Aglycone
AD04252
Formula: C15H16O4
Smiles:
COc1ccc(CCc2cc(O)cc(O)c2)cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 2.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 260.29 | Num_heavy_atoms: | 19 |
| TPSA: | 69.92 | NumAromaticRings: | 2 |
AD47772
Formula: C10H12O4
Smiles:
COC(=O)CCc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 196.2 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
