Glycoside
GD017548
Name:
NoneFormula:
C46H58O18N2Smiles:
COc1cc2cc(NC(=O)CCC=CCCC(=O)Nc3cc4cc(OC)c(O[C@@H]5OC(C)(C)[C@H](OC)[C@H](O)[C@H]5O)c(C)c4oc3=O)c(=O)oc2c(C)c1O[C@@H]1OC(C)(C)[C@H](OC)[C@H](O)[C@H]1OAglycone:
COc1cc2cc(NC(=O)CCC=CCCC(=O)Nc3cc4cc(OC)c(O)c(C)c4oc3=O)c(=O)oc2c(C)c1OSugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C.COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 3.73 | Num_rotatable_bonds: | 16 |
| MolWt: | 926.97 | Num_heavy_atoms: | 66 |
| TPSA: | 273.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD12507
Formula: C30H30O10N2
Smiles:
COc1cc2cc(NC(=O)CCC=CCCC(=O)Nc3cc4cc(OC)c(O)c(C)c4oc3=O)c(=O)oc2c(C)c1O| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 578.57 | Num_heavy_atoms: | 42 |
| TPSA: | 177.54 | NumAromaticRings: | 4 |
