Glycoside
GD129406
Name:
Aloesinol; (2'S)-Form, 4''-β-D-Glucopyranosyl, 7-Me Ether, 2''-O-(4-Hydroxy-E-Cinnamoyl)Formula:
C35H42O16Smiles:
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1C1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC(=O)C=Cc1ccc(O)cc1Aglycone:
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.49 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 11 |
| MolWt: | 718.71 | Num_heavy_atoms: | 51 |
| TPSA: | 255.27 | NumAromaticRings: | 3 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD17365
Formula: C14H16O4
Smiles:
COc1cc(C)c2c(=O)cc(CC(C)O)oc2c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 248.28 | Num_heavy_atoms: | 18 |
| TPSA: | 59.67 | NumAromaticRings: | 2 |
