Glycoside
GD141262
Name:
(3,4,5-trihydroxy-6-{2-[2-(2-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2-oxoethoxy]phenoxy}oxan-2-yl)methyl benzoateFormula:
C33H36O16Smiles:
O=C(OCC1OC(Oc2ccccc2OCC(=O)c2c(O)cccc2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(COc1ccccc1O)c1c(O)cccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.39 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 688.64 | Num_heavy_atoms: | 49 |
| TPSA: | 251.36 | NumAromaticRings: | 3 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD56924
Formula: C14H12O5
Smiles:
O=C(COc1ccccc1O)c1c(O)cccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 4 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
