Glycoside
GD126332
Name:
3-o-(2-o-beta-xylopyranosyl-6-o-(z)-p-coumaroyl)-beta-galactopyranosideFormula:
C35H37O17Smiles:
O=C(C=Cc1ccc([OH2+])cc1)OCC1OC(OC2=Cc3c(O)cc(O)cc3OC2c2ccc(O)c(O)c2)C(OC2OCC(O)C(O)C2O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc([OH2+])cc1.OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1Sugarmoiety:
OC1COC(OC2C(O)OC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.34 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 9 |
| MolWt: | 729.66 | Num_heavy_atoms: | 52 |
| TPSA: | 277.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD44975
Formula: C15H12O6
Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1| HBA: | 6 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.07 |
| AlogP: | 2.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 288.25 | Num_heavy_atoms: | 21 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
AD45655
Formula: C10H11O3
Smiles:
COC(=O)C=Cc1ccc([OH2+])cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 2 |
| MolWt: | 179.19 | Num_heavy_atoms: | 13 |
| TPSA: | 49.2 | NumAromaticRings: | 1 |
