Glycoside
GD155741
Name:
1-{4-[(3-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxyoxan-2-yl)oxy]-3-hydroxyphenyl}ethan-1-oneFormula:
C19H26O12Smiles:
CC(=O)c1ccc(OC2OCC(O)C(O)C2OC2(CO)OC(CO)C(O)C2O)c(O)c1Aglycone:
CC(=O)c1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(CO)(OC2C(O)OCC(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.63 |
| AlogP: | -2.76 | Num_rotatable_bonds: | 7 |
| MolWt: | 446.41 | Num_heavy_atoms: | 31 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD02222
Formula: C8H8O3
Smiles:
CC(=O)c1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
