Glycoside
GD138862
Name:
RandinosideFormula:
C33H46O20Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC2(O)COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(C)OAglycone:
COC(=O)C1=COC(O)C2C1C=CC2(O)COC(=O)C1=COC(O)C2C1CCC2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.76 |
| AlogP: | -4.87 | Num_rotatable_bonds: | 10 |
| MolWt: | 762.71 | Num_heavy_atoms: | 53 |
| TPSA: | 310.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD56027
Formula: C21H26O10
Smiles:
COC(=O)C1=COC(O)C2C1C=CC2(O)COC(=O)C1=COC(O)C2C1CCC2(C)O| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 438.43 | Num_heavy_atoms: | 31 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
