Glycoside
GD144265
Name:
Cytisoside 3''-O-Beta-D-RhamnopyranosideFormula:
C28H32O14Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)c(C4OC(CO)C(O)C(OC5OC(C)C(O)C(O)C5O)C4O)c3o2)cc1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 6 |
| MolWt: | 592.55 | Num_heavy_atoms: | 42 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD02166
Formula: C16H12O5
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.06 |
| AlogP: | 2.88 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 79.9 | NumAromaticRings: | 3 |
