Glycoside
GD143545
Name:
Padmatin 3-GlucosideFormula:
C22H24O12Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(OC1OC(CO)C(O)C(O)C1O)C2=OAglycone:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.42 | Num_heavy_atoms: | 34 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD21259
Formula: C16H14O7
Smiles:
COc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.28 | Num_heavy_atoms: | 23 |
| TPSA: | 116.45 | NumAromaticRings: | 2 |
