Glycoside
GD024287
Name:
PENICACID BFormula:
C23H30O12Smiles:
COc1c(C)c2c(c(O)c1CC=C(C)[C@H](CC(=O)O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)OC2Aglycone:
COc1c(C)c2c(c(O)c1CC=C(C)C(O)CC(=O)O)C(=O)OC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 498.48 | Num_heavy_atoms: | 35 |
| TPSA: | 192.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD16225
Formula: C17H20O7
Smiles:
COc1c(C)c2c(c(O)c1CC=C(C)C(O)CC(=O)O)C(=O)OC2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.41 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 336.34 | Num_heavy_atoms: | 24 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
