Glycoside
GD155285
Name:
SpinatosideFormula:
C23H22O14Smiles:
COc1c(O)cc2oc(-c3ccc(OC4OC(C(=O)O)C(O)C(O)C4O)c(O)c3)c(OC)c(=O)c2c1OAglycone:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.3 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 522.42 | Num_heavy_atoms: | 37 |
| TPSA: | 225.81 | NumAromaticRings: | 3 |
Unique Aglycone
AD49080
Formula: C17H14O8
Smiles:
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.12 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.29 | Num_heavy_atoms: | 25 |
| TPSA: | 129.59 | NumAromaticRings: | 3 |
