Glycoside
GD117104
Name:
Trilobatin DFormula:
C25H24O13Smiles:
O=C(O)CC1OCC(O)C(O)C1OC(=O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OAglycone:
O=C(O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OSugarmoiety:
O=C(O)CC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.32 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 532.45 | Num_heavy_atoms: | 38 |
| TPSA: | 231.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD46640
Formula: C18H14O8
Smiles:
O=C(O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)O| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.11 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.3 | Num_heavy_atoms: | 26 |
| TPSA: | 155.52 | NumAromaticRings: | 2 |
