Glycoside
GD142575
Name:
6''-O-Trans-Cinnamoylgenipin GentiobiosideFormula:
C32H40O16Smiles:
COC(=O)C1=COC(OC2OC(COC3OC(COC(=O)C=Cc4ccccc4)C(O)C(O)C3O)C(O)C(O)C2O)C2C(CO)=CCC12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CCC12.COC(=O)C=Cc1ccccc1Sugarmoiety:
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | -2.14 | Num_rotatable_bonds: | 11 |
| MolWt: | 680.66 | Num_heavy_atoms: | 48 |
| TPSA: | 240.36 | NumAromaticRings: | 1 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD01075
Formula: C11H14O5
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CCC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
