Glycoside
GD134818
Name:
2-[(3,5-dihydroxy-2-{3-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]phenoxy}oxan-4-yl)oxy]-6-methyloxane-3,4,5-triolFormula:
C25H32O11Smiles:
CC1OC(OC2C(O)COC(Oc3cc(O)cc(CCc4ccc(O)cc4)c3)C2O)C(O)C(O)C1OAglycone:
Oc1ccc(CCc2cc(O)cc(O)c2)cc1Sugarmoiety:
CC1OC(OC2C(O)COC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 7 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 178.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD12639
Formula: C14H14O3
Smiles:
Oc1ccc(CCc2cc(O)cc(O)c2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 230.26 | Num_heavy_atoms: | 17 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
