Glycoside
GD118104
Name:
Bonaspectin C 4''-Beta-GlucosideFormula:
C40H54O15Smiles:
COc1cc(C2OC(c3cc(OC)c(OC(C)Cc4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)c(OC)c3)C(C)C2C)cc(OC)c1OCAglycone:
COc1cc(CC(C)Oc2c(OC)cc(C3OC(c4cc(OC)c(OC)c(OC)c4)C(C)C3C)cc2OC)cc(OC)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | 4.02 | Num_rotatable_bonds: | 16 |
| MolWt: | 774.86 | Num_heavy_atoms: | 55 |
| TPSA: | 182.45 | NumAromaticRings: | 3 |
Unique Aglycone
AD47187
Formula: C34H44O10
Smiles:
COc1cc(CC(C)Oc2c(OC)cc(C3OC(c4cc(OC)c(OC)c(OC)c4)C(C)C3C)cc2OC)cc(OC)c1O| HBA: | 10 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 6.55 | Num_rotatable_bonds: | 13 |
| MolWt: | 612.72 | Num_heavy_atoms: | 44 |
| TPSA: | 103.3 | NumAromaticRings: | 3 |
