Glycoside
GD146305
Name:
Trilobatin BFormula:
C26H28O13Smiles:
O=C(OCC1OC(CC(O)CO)C(O)C1O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OAglycone:
CC(O)CO.COC(=O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OSugarmoiety:
OCC(O)CC(O)OOOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.5 | Num_heavy_atoms: | 39 |
| TPSA: | 234.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD05567
Formula: C3H8O2
Smiles:
CC(O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.09 | Num_heavy_atoms: | 5 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD58681
Formula: C19H16O8
Smiles:
COC(=O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.16 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 372.33 | Num_heavy_atoms: | 27 |
| TPSA: | 144.52 | NumAromaticRings: | 2 |
