Glycoside
GD146885
Name:
[3,4-dihydroxy-5-(hydroxymethyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl benzoateFormula:
C19H26O12Smiles:
O=C(OCC1(OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1Sugarmoiety:
OCC1OC(OC2(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.41 | Num_heavy_atoms: | 31 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
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 |
