Glycoside
GD129848
Name:
(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3-yl]oxy}oxan-2-yl)methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C37H40O19Smiles:
COc1cc(C2Oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C(=O)C2OC2OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)ccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -1.24 | Num_rotatable_bonds: | 11 |
| MolWt: | 788.71 | Num_heavy_atoms: | 56 |
| TPSA: | 301.05 | NumAromaticRings: | 3 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD50289
Formula: C16H14O7
Smiles:
COc1cc(C2Oc3cc(O)cc(O)c3C(=O)C2O)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
