Glycoside
GD128044
Name:
Aestivophoenin BFormula:
C36H40O7N2Smiles:
CC(C)=CCc1cc(C(=O)c2ccccc2)cc2c1Nc1c(C(=O)OC3OC(C)C(O)C(O)C3O)cccc1N2CC=C(C)CAglycone:
CC(C)=CCc1cc(C(=O)c2ccccc2)cc2c1Nc1c(C(=O)O)cccc1N2CC=C(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 5.57 | Num_rotatable_bonds: | 8 |
| MolWt: | 612.72 | Num_heavy_atoms: | 45 |
| TPSA: | 128.56 | NumAromaticRings: | 3 |
Unique Aglycone
AD51870
Formula: C30H30O3N2
Smiles:
CC(C)=CCc1cc(C(=O)c2ccccc2)cc2c1Nc1c(C(=O)O)cccc1N2CC=C(C)C| HBA: | 5 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 7.29 | Num_rotatable_bonds: | 7 |
| MolWt: | 466.58 | Num_heavy_atoms: | 35 |
| TPSA: | 69.64 | NumAromaticRings: | 3 |
