Glycoside
GD118095
Name:
[3,5-dihydroxy-6-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 6'-formyl-2',3',4,4',5,6-hexahydroxy-[1,1'-biphenyl]-3-carboxylateFormula:
C27H24O17Smiles:
O=Cc1cc(O)c(O)c(O)c1-c1cc(C(=O)OCC2OC(OC(=O)c3cc(O)c(O)c(O)c3)C(O)CC2O)c(O)c(O)c1OAglycone:
COC(=O)c1cc(-c2c(C=O)cc(O)c(O)c2O)c(O)c(O)c1O.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1CC(O)C(O)OC1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.22 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 620.47 | Num_heavy_atoms: | 44 |
| TPSA: | 301.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD47181
Formula: C15H12O9
Smiles:
COC(=O)c1cc(-c2c(C=O)cc(O)c(O)c2O)c(O)c(O)c1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 3 |
| MolWt: | 336.25 | Num_heavy_atoms: | 24 |
| TPSA: | 164.75 | NumAromaticRings: | 2 |
