Glycoside
GD147194
Name:
Aturanoside AFormula:
C31H37O14NSmiles:
CCCc1cc(OC2OC(C)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2N=C(C)O)cc2c1C(=O)c1c(O)cc(O)cc1C2=OAglycone:
CCCc1cc(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=OSugarmoiety:
CC(O)=NC1C(OC2C(O)OC(C)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.52 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 8 |
| MolWt: | 647.63 | Num_heavy_atoms: | 46 |
| TPSA: | 245.26 | NumAromaticRings: | 2 |
Unique Aglycone
AD17681
Formula: C17H14O5
Smiles:
CCCc1cc(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.29 | Num_heavy_atoms: | 22 |
| TPSA: | 94.83 | NumAromaticRings: | 2 |
