Glycoside
GD122707
Name:
Isokibdelone A Α-RhamnosideFormula:
C36H34O14NClSmiles:
CCCc1c(Cl)c2c(c(=O)n1C)C(=O)c1c(ccc3c(OC)c(O)c4c(=O)c5c(oc4c13)C(O)CC(OC1OC(C)C(O)C(O)C1O)C5O)C2=OAglycone:
CCCc1c(Cl)c2c(c(=O)n1C)C(=O)c1c(ccc3c(OC)c(O)c4c(=O)c5c(oc4c13)C(O)CC(O)C5O)C2=OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 5 |
| MolWt: | 728.1 | Num_heavy_atoms: | 51 |
| TPSA: | 235.42 | NumAromaticRings: | 4 |
Unique Aglycone
AD49476
Formula: C30H24O10NCl
Smiles:
CCCc1c(Cl)c2c(c(=O)n1C)C(=O)c1c(ccc3c(OC)c(O)c4c(=O)c5c(oc4c13)C(O)CC(O)C5O)C2=O| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 581.96 | Num_heavy_atoms: | 41 |
| TPSA: | 176.5 | NumAromaticRings: | 4 |
