Glycoside
GD017682
Name:
CIMICIFUGIC ACID NFormula:
C22H22O11Smiles:
COc1ccc(C=CC(=O)O[C@H](C(=O)O)[C@](O)(Cc2ccc(O)c(O)c2)C(=O)O)cc1OCAglycone:
COc1ccc(C=CC=O)cc1OC.Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)C(OO)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 180.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD03382
Formula: C11H12O3
Smiles:
COc1ccc(C=CC=O)cc1OC| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 4 |
| MolWt: | 192.21 | Num_heavy_atoms: | 14 |
| TPSA: | 35.53 | NumAromaticRings: | 1 |
AD06437
Formula: C7H8O2
Smiles:
Cc1ccc(O)c(O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
