Glycoside
GD147909
Name:
Hymenoside OFormula:
C20H26O11Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OC1C(CO)OC(OCC(=CCO)CO)C(O)C1OAglycone:
O=C(O)C=Cc1ccc(O)c(O)c1.OCC=C(CO)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.45 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 442.42 | Num_heavy_atoms: | 31 |
| TPSA: | 186.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD00127
Formula: C9H8O4
Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD47503
Formula: C5H10O3
Smiles:
OCC=C(CO)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 118.13 | Num_heavy_atoms: | 8 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
