Glycoside
GD118534
Name:
Rhyncoside DFormula:
C21H32O13Smiles:
COc1cc(CO)cc(OC)c1OC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
COc1cc(CO)cc(OC)c1OSugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.71 |
| AlogP: | -2.77 | Num_rotatable_bonds: | 8 |
| MolWt: | 492.47 | Num_heavy_atoms: | 34 |
| TPSA: | 196.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD01618
Formula: C9H12O4
Smiles:
COc1cc(CO)cc(OC)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.9 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 58.92 | NumAromaticRings: | 1 |
