Glycoside
GD008755
Name:
NoneFormula:
C44H54O19N2Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H](O)[C@H]4O)cc3o2)cc1OCC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1Aglycone:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OCC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 15 |
| MolWt: | 914.91 | Num_heavy_atoms: | 65 |
| TPSA: | 278.44 | NumAromaticRings: | 4 |
Unique Aglycone
AD03628
Formula: C32H34O10N2
Smiles:
COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OCC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1| HBA: | 12 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 10 |
| MolWt: | 606.63 | Num_heavy_atoms: | 44 |
| TPSA: | 140.37 | NumAromaticRings: | 4 |
