Glycoside
GD135384
Name:
(3,4,5-trihydroxy-6-{2-hydroxy-4-[(4-hydroxy-3-methoxybenzoyloxy)methyl]phenoxy}oxan-2-yl)methyl 4-hydroxy-3-methoxybenzoateFormula:
C29H30O14Smiles:
COc1cc(C(=O)OCc2ccc(OC3OC(COC(=O)c4ccc(O)c(OC)c4)C(O)C(O)C3O)c(O)c2)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc(C(=O)OCc2ccc(O)c(O)c2)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.31 |
| AlogP: | 1.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 602.55 | Num_heavy_atoms: | 43 |
| TPSA: | 210.9 | NumAromaticRings: | 3 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD02905
Formula: C15H14O6
Smiles:
COc1cc(C(=O)OCc2ccc(O)c(O)c2)ccc1O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.27 | Num_heavy_atoms: | 21 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
