Glycoside
GD149861
Name:
[3,4,5-trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methyl 4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxybenzoateFormula:
C31H36O15Smiles:
COc1cc(OC2OC(COC(=O)c3ccc(OC(CO)C(O)c4ccc(O)c(OC)c4)c(OC)c3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1ccc(OC(CO)C(O)c2ccc(O)c(OC)c2)c(OC)c1.COc1cc(O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.39 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 13 |
| MolWt: | 648.61 | Num_heavy_atoms: | 46 |
| TPSA: | 223.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD00096
Formula: C7H8O3
Smiles:
COc1cc(O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 1 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
AD59899
Formula: C19H22O8
Smiles:
COC(=O)c1ccc(OC(CO)C(O)c2ccc(O)c(OC)c2)c(OC)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 378.38 | Num_heavy_atoms: | 27 |
| TPSA: | 114.68 | NumAromaticRings: | 2 |
