Glycoside
GD003102
Name:
NYSSOSIDEFormula:
C22H18O13Smiles:
COc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc2c(=O)oc3c4c(cc5c(=O)oc1c2c35)OCO4Aglycone:
COc1c(O)cc2c(=O)oc3c4c(cc5c(=O)oc1c2c35)OCO4Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | -0.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 490.37 | Num_heavy_atoms: | 35 |
| TPSA: | 187.49 | NumAromaticRings: | 4 |
Unique Aglycone
AD02856
Formula: C16H8O8
Smiles:
COc1c(O)cc2c(=O)oc3c4c(cc5c(=O)oc1c2c35)OCO4| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 328.23 | Num_heavy_atoms: | 24 |
| TPSA: | 108.34 | NumAromaticRings: | 4 |
