Glycoside
GD128445
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-[2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy]oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C34H38O17Smiles:
COc1cc(-c2c(C)cc(OC3OC(CO)C(O)C(O)C3O)cc2OC2OC(CO)C(O)C(O)C2OC(=O)C=Cc2ccc(O)cc2)oc(=O)c1Aglycone:
COc1cc(-c2c(C)cc(O)cc2O)oc(=O)c1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.41 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 718.66 | Num_heavy_atoms: | 51 |
| TPSA: | 264.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD10716
Formula: C13H12O5
Smiles:
COc1cc(-c2c(C)cc(O)cc2O)oc(=O)c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 248.23 | Num_heavy_atoms: | 18 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
