Glycoside
GD141335
Name:
7-Demethyl-Glucopiericidin AFormula:
C36H55O14NSmiles:
CC=C(C)C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(C)C=CC=CCC(C)=CCc1nc(OC)c(OC)c(O)c1CAglycone:
CC=C(C)C(O)C(C)C=CC=CCC(C)=CCc1nc(OC)c(OC)c(O)c1CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.64 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 16 |
| MolWt: | 725.83 | Num_heavy_atoms: | 51 |
| TPSA: | 230.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD21513
Formula: C24H35O4N
Smiles:
CC=C(C)C(O)C(C)C=CC=CCC(C)=CCc1nc(OC)c(OC)c(O)c1C| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.46 |
| AlogP: | 5.07 | Num_rotatable_bonds: | 10 |
| MolWt: | 401.55 | Num_heavy_atoms: | 29 |
| TPSA: | 71.81 | NumAromaticRings: | 1 |
