Glycoside
GD140435
Name:
jugnaphthalenoside bFormula:
C29H30O16Smiles:
CC1OC(OCC2OC(Oc3c(O)c(O)cc4c(=O)oc5c6cccc(O)c6c(O)cc5c34)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=c1oc2c3cccc(O)c3c(O)cc2c2c(O)c(O)c(O)cc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.41 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 634.54 | Num_heavy_atoms: | 45 |
| TPSA: | 269.43 | NumAromaticRings: | 4 |
Unique Aglycone
AD48003
Formula: C17H10O7
Smiles:
O=c1oc2c3cccc(O)c3c(O)cc2c2c(O)c(O)c(O)cc12| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 326.26 | Num_heavy_atoms: | 24 |
| TPSA: | 131.36 | NumAromaticRings: | 4 |
