Glycoside
GD125755
Name:
Aloesinol; (2'R)-Form, 1'-Hydroxy, 7-Me Ether, 2''-O-E-CinnamoylFormula:
C29H32O11Smiles:
COc1cc(C)c2c(=O)cc(C(O)C(C)O)oc2c1C1OC(CO)C(O)C(O)C1OC(=O)C=Cc1ccccc1Aglycone:
COc1cc(C)c2c(=O)cc(C(O)C(C)O)oc2c1.O=C(O)C=Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 556.56 | Num_heavy_atoms: | 40 |
| TPSA: | 176.12 | 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 |
AD49431
Formula: C14H16O5
Smiles:
COc1cc(C)c2c(=O)cc(C(O)C(C)O)oc2c1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 3 |
| MolWt: | 264.28 | Num_heavy_atoms: | 19 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
