Glycoside
GD127878
Name:
{6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoateFormula:
C44H50O25Smiles:
COc1ccc(-c2oc3cc(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)c(OC)c(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 7 |
| HBD: | 13 | FractionCSP3: | 0.45 |
| AlogP: | -2.96 | Num_rotatable_bonds: | 15 |
| MolWt: | 978.86 | Num_heavy_atoms: | 69 |
| TPSA: | 393.34 | NumAromaticRings: | 4 |
Unique Aglycone
AD00323
Formula: C17H14O7
Smiles:
COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O)cc1| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 3 |
| MolWt: | 330.29 | Num_heavy_atoms: | 24 |
| TPSA: | 109.36 | NumAromaticRings: | 3 |
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
