Glycoside
GD132157
Name:
[6-(4-benzoyl-3,5-dihydroxy-2-methylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoateFormula:
C27H26O13Smiles:
Cc1c(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)cc(O)c(C(=O)c2ccccc2)c1OAglycone:
COC(=O)c1cc(O)c(O)c(O)c1.Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.26 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 558.49 | Num_heavy_atoms: | 40 |
| TPSA: | 223.67 | NumAromaticRings: | 3 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD00705
Formula: C14H12O4
Smiles:
Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 77.76 | NumAromaticRings: | 2 |
