Glycoside
GD125559
Name:
6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-4,5-dihydroxy-2-{3-[2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenoxy}oxan-3-yl 4-hydroxy-3-methoxybenzoateFormula:
C34H38O15Smiles:
COc1cc(C=Cc2ccc(O)cc2)cc(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2OC(=O)c2ccc(O)c(OC)c2)c1Aglycone:
COc1cc(C(=O)O)ccc1O.COc1cc(O)cc(C=Cc2ccc(O)cc2)c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.38 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 12 |
| MolWt: | 686.66 | Num_heavy_atoms: | 49 |
| TPSA: | 223.29 | NumAromaticRings: | 3 |
Unique Aglycone
AD02082
Formula: C15H14O3
Smiles:
COc1cc(O)cc(C=Cc2ccc(O)cc2)c1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 242.27 | Num_heavy_atoms: | 18 |
| TPSA: | 49.69 | NumAromaticRings: | 2 |
AD08832
Formula: C8H8O4
Smiles:
COc1cc(C(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
