Glycoside
GD125567
Name:
{6-[(2-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl benzoateFormula:
C34H34O18Smiles:
O=C(OCC1OC(OC2C(Oc3cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c(O)c3O)OC(CO)C(O)C2O)C(O)C(O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12Sugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.35 |
| AlogP: | -0.85 | Num_rotatable_bonds: | 9 |
| MolWt: | 730.63 | Num_heavy_atoms: | 52 |
| TPSA: | 295.73 | NumAromaticRings: | 4 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD06961
Formula: C15H10O7
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 302.24 | Num_heavy_atoms: | 22 |
| TPSA: | 131.36 | NumAromaticRings: | 3 |
