Glycoside
GD011197
Name:
HistomodulinFormula:
C28H30O14Smiles:
CC[C@]1(O)C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=OAglycone:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.46 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 590.53 | Num_heavy_atoms: | 42 |
| TPSA: | 240.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD07624
Formula: C22H20O9
Smiles:
CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 428.39 | Num_heavy_atoms: | 31 |
| TPSA: | 161.59 | NumAromaticRings: | 2 |
