Glycoside
GD142426
Name:
Aloeresin EFormula:
C34H38O15Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(OC3OC(CO)C(O)C(O)C3O)c(C3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccccc3)c2o1Aglycone:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.44 |
| AlogP: | -0.81 | Num_rotatable_bonds: | 10 |
| MolWt: | 686.66 | Num_heavy_atoms: | 49 |
| TPSA: | 242.88 | NumAromaticRings: | 3 |
Unique Aglycone
AD00362
Formula: C9H8O2
Smiles:
O=C(O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD06372
Formula: C13H12O4
Smiles:
CC(=O)Cc1cc(=O)c2c(C)cc(O)cc2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.23 |
| AlogP: | 1.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 232.23 | Num_heavy_atoms: | 17 |
| TPSA: | 67.51 | NumAromaticRings: | 2 |
