Glycoside
GD012994
Name:
NoneFormula:
C44H54O18N2Smiles:
COc1cc2cc(NC(=O)CC=CCC(=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)CC=CCC(=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: | 0.5 |
| AlogP: | 2.95 | Num_rotatable_bonds: | 14 |
| MolWt: | 898.91 | Num_heavy_atoms: | 64 |
| TPSA: | 273.38 | NumAromaticRings: | 4 |
Unique Aglycone
AD09755
Formula: C28H26O10N2
Smiles:
COc1cc2cc(NC(=O)CC=CCC(=O)Nc3cc4cc(OC)c(O)c(C)c4oc3=O)c(=O)oc2c(C)c1O| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.52 | Num_heavy_atoms: | 40 |
| TPSA: | 177.54 | NumAromaticRings: | 4 |
