Glycoside
GD123952
Name:
GlycyphyllinFormula:
C21H24O9Smiles:
CC1OC(Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)C(O)C(O)C1OAglycone:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1OSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 6 |
| MolWt: | 420.41 | Num_heavy_atoms: | 30 |
| TPSA: | 156.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD01456
Formula: C15H14O5
Smiles:
O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.13 |
| AlogP: | 2.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
