Glycoside
GD150713
Name:
Dracunculifoside LFormula:
C28H30O13Smiles:
C=C(COC1OC(COC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(O)C1O)C1Oc2cc(C(C)=O)c(O)cc2C1OAglycone:
C=C(CO)C1Oc2cc(C(C)=O)c(O)cc2C1O.COC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 9 |
| MolWt: | 574.54 | Num_heavy_atoms: | 41 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD03431
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
AD56431
Formula: C13H14O5
Smiles:
C=C(CO)C1Oc2cc(C(C)=O)c(O)cc2C1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 0.94 | Num_rotatable_bonds: | 3 |
| MolWt: | 250.25 | Num_heavy_atoms: | 18 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
