Glycoside
GD135343
Name:
HaplanthinFormula:
C22H24O10Smiles:
COc1cc(O)c2c(c1)OC(c1ccccc1OC1OC(CO)C(O)C(O)C1O)CC2=OAglycone:
COc1cc(O)c2c(c1)OC(c1ccccc1O)CC2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.42 | Num_heavy_atoms: | 32 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD54730
Formula: C16H14O5
Smiles:
COc1cc(O)c2c(c1)OC(c1ccccc1O)CC2=O| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.81 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.28 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
