Glycoside
GD134328
Name:
6-(2,6-dihydroxy-4-{[(5-hydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl)oxy]carbonyl}phenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C34H36O22Smiles:
O=C(OC1Cc2c(O)cc(OC3OC(CO)C(O)C(O)C3O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1Aglycone:
O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 6 |
| HBD: | 14 | FractionCSP3: | 0.41 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 9 |
| MolWt: | 796.64 | Num_heavy_atoms: | 56 |
| TPSA: | 372.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD54349
Formula: C22H18O11
Smiles:
O=C(OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1| HBA: | 11 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.14 |
| AlogP: | 2.23 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.38 | Num_heavy_atoms: | 33 |
| TPSA: | 197.37 | NumAromaticRings: | 3 |
