Glycoside
GD124074
Name:
Kibdelone B RhamnosideFormula:
C36H36O14NClSmiles:
CCCc1c(Cl)c2c(c(=O)n1C)C(=O)C1=C(CCc3c1c(O)c1c(=O)c4c(oc1c3OC)C(O)CC(OC1OC(C)C(O)C(O)C1O)C4O)C2=OAglycone:
CCCc1c(Cl)c2c(c(=O)n1C)C(=O)C1=C(CCc3c1c(O)c1c(=O)c4c(oc1c3OC)C(O)CC(O)C4O)C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.49 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 730.12 | Num_heavy_atoms: | 51 |
| TPSA: | 235.42 | NumAromaticRings: | 3 |
Unique Aglycone
AD50098
Formula: C30H26O10NCl
Smiles:
CCCc1c(Cl)c2c(c(=O)n1C)C(=O)C1=C(CCc3c1c(O)c1c(=O)c4c(oc1c3OC)C(O)CC(O)C4O)C2=O| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 583.98 | Num_heavy_atoms: | 41 |
| TPSA: | 176.5 | NumAromaticRings: | 3 |
