Glycoside
GD118576
Name:
2-(4-hydroxy-3-methoxyphenyl)-3-[7-hydroxy-4-(methoxycarbonyl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,7H,7aH-cyclopenta[c]pyran-7-carbonyloxy]prop-2-enoic acidFormula:
C27H30O16Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 610.52 | Num_heavy_atoms: | 43 |
| TPSA: | 248.2 | NumAromaticRings: | 1 |
Unique Aglycone
AD47430
Formula: C21H20O11
Smiles:
COC(=O)C1=COC(O)C2C1C=CC2(O)C(=O)OC=C(C(=O)O)c1ccc(O)c(OC)c1| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.29 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 169.05 | NumAromaticRings: | 1 |
