Glycoside
GD019093
Name:
NoneFormula:
C40H44O19N2Smiles:
CN[C@H]1[C@H](C)O[C@@H](O[C@@H]2c3cc(C)c(C(=O)N[C@H](CO)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)[C@H]2O)[C@@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(CO)C(=O)O)c1O)C(O)C3O)C2=OSugarmoiety:
CNC1C(C)OC(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.45 |
| AlogP: | -1.64 | Num_rotatable_bonds: | 10 |
| MolWt: | 856.79 | Num_heavy_atoms: | 61 |
| TPSA: | 340.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD13376
Formula: C28H23O12N
Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(CO)C(=O)O)c1O)C(O)C3O)C2=O| HBA: | 13 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.21 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 565.49 | Num_heavy_atoms: | 41 |
| TPSA: | 231.15 | NumAromaticRings: | 3 |
