Glycoside
GD137738
Name:
3-{3-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]propyl}-1,3-dihydro-2-benzofuran-1-oneFormula:
C23H32O12Smiles:
CC1OC(OCC2OC(OCCCC3OC(=O)c4ccccc43)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C1OC(CCCO)c2ccccc21Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 8 |
| MolWt: | 500.5 | Num_heavy_atoms: | 35 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD46012
Formula: C11H12O3
Smiles:
O=C1OC(CCCO)c2ccccc21| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 1.67 | Num_rotatable_bonds: | 3 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
