Glycoside
GD146393
Name:
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})benzoateFormula:
C32H42O20Smiles:
O=C(OCc1ccccc1OC1OC(CO)C(O)C(O)C1O)c1c(OC2OC(CO)C(O)C(O)C2O)cccc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(OCc1ccccc1O)c1c(O)cccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -5.42 | Num_rotatable_bonds: | 12 |
| MolWt: | 746.67 | Num_heavy_atoms: | 52 |
| TPSA: | 324.44 | NumAromaticRings: | 2 |
Unique Aglycone
AD19085
Formula: C14H12O5
Smiles:
O=C(OCc1ccccc1O)c1c(O)cccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
