Glycoside
GD144733
Name:
2-[(2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-4,5-dihydroxyoxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C35H36O19Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(OC2C(OC3C(=O)c4c(O)cc(O)cc4OC3c3ccc(O)c(O)c3)OC(CO)C(O)C2O)OCC(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.37 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 760.65 | Num_heavy_atoms: | 54 |
| TPSA: | 312.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD01473
Formula: C15H12O7
Smiles:
O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.13 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.25 | Num_heavy_atoms: | 22 |
| TPSA: | 127.45 | NumAromaticRings: | 2 |
