Glycoside
GD022936
Name:
SUBAVENOSIDE EFormula:
C25H30O9Smiles:
COCC1=CCc2cc(OC)ccc2-c2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)cc21Aglycone:
COCC1=CCc2cc(OC)ccc2-c2cc(O)c(OC)cc21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.44 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.51 | Num_heavy_atoms: | 34 |
| TPSA: | 127.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD15485
Formula: C19H20O4
Smiles:
COCC1=CCc2cc(OC)ccc2-c2cc(O)c(OC)cc21| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.26 |
| AlogP: | 3.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 312.37 | Num_heavy_atoms: | 23 |
| TPSA: | 47.92 | NumAromaticRings: | 2 |
