Glycoside
GD142757
Name:
SiphoneugeninFormula:
C22H24O13Smiles:
COc1cc2c(c(OC)c1OCC1OC(CO)C(O)C(O)C1O)Oc1c(O)cc(C(=O)O)cc1O2Aglycone:
COc1cc2c(c(OC)c1OC)Oc1c(O)cc(C(=O)O)cc1O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.42 | Num_heavy_atoms: | 35 |
| TPSA: | 193.83 | NumAromaticRings: | 2 |
Unique Aglycone
AD57441
Formula: C16H14O8
Smiles:
COc1cc2c(c(OC)c1OC)Oc1c(O)cc(C(=O)O)cc1O2| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 3.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 334.28 | Num_heavy_atoms: | 24 |
| TPSA: | 103.68 | NumAromaticRings: | 2 |
