Glycoside
GD144999
Name:
2-[5-({[2,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyloxy)oxan-3-yl]oxy}carbonyl)-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoic acidFormula:
C27H24O19Smiles:
O=C(OC1C(O)OC(CO)C(O)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(O)c(O)c2O)c1Aglycone:
O=C(O)c1cc(O)c(O)c(O)c1.O=C(O)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(O)c(O)c2O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.22 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 8 |
| MolWt: | 652.47 | Num_heavy_atoms: | 46 |
| TPSA: | 330.89 | 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 |
AD47038
Formula: C14H10O10
Smiles:
O=C(O)c1cc(O)c(O)c(Oc2c(C(=O)O)cc(O)c(O)c2O)c1| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.0 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 338.22 | Num_heavy_atoms: | 24 |
| TPSA: | 184.98 | NumAromaticRings: | 2 |
