Glycoside
GD014516
Name:
NoneFormula:
C26H25O11NSmiles:
COc1cc2c3c(n(C[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2Aglycone:
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.38 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 527.48 | Num_heavy_atoms: | 38 |
| TPSA: | 166.14 | NumAromaticRings: | 3 |
Unique Aglycone
AD06922
Formula: C20H15O6N
Smiles:
COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2| HBA: | 7 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 2 |
| MolWt: | 365.34 | Num_heavy_atoms: | 27 |
| TPSA: | 75.99 | NumAromaticRings: | 3 |
