Glycoside
GD135975
Name:
6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-3-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateFormula:
C36H48O21Smiles:
COc1cc(C=CC(=O)OC2C(CO)OC(OCCc3ccc(O)c(O)c3)C(OC3OC(CO)C(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)ccc1OAglycone:
COc1cc(C=CC(=O)O)ccc1O.OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.58 |
| AlogP: | -3.92 | Num_rotatable_bonds: | 15 |
| MolWt: | 816.76 | Num_heavy_atoms: | 57 |
| TPSA: | 333.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD00175
Formula: C10H10O4
Smiles:
COc1cc(C=CC(=O)O)ccc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
