Glycoside
GD142826
Name:
(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}phenyl)methyl benzoateFormula:
C26H32O12Smiles:
CC1OC(OC2C(Oc3ccc(COC(=O)c4ccccc4)cc3)OC(CO)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(OCc1ccc(O)cc1)c1ccccc1Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 536.53 | Num_heavy_atoms: | 38 |
| TPSA: | 184.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD03610
Formula: C14H12O3
Smiles:
O=C(OCc1ccc(O)cc1)c1ccccc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
