Glycoside
GD134766
Name:
Trilobatin HFormula:
C42H42O23Smiles:
O=C(O)CC(O)C(OC(=O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OC1C=C(C(=O)O)OC(C(O)CO)C1OC(=O)C=Cc1ccc(O)c(O)c1)C(O)C(O)COAglycone:
O=CC1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OC1C=C(C(=O)O)OC(C(O)CO)C1OC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
O=C(O)CC(O)C(OO)C(O)C(O)COOther Identifiers
Properties
| HBA: | 23 | RingCount: | 5 |
| HBD: | 14 | FractionCSP3: | 0.31 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 17 |
| MolWt: | 914.78 | Num_heavy_atoms: | 65 |
| TPSA: | 405.49 | NumAromaticRings: | 3 |
Unique Aglycone
AD54517
Formula: C35H30O16
Smiles:
O=CC1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OC1C=C(C(=O)O)OC(C(O)CO)C1OC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.2 |
| AlogP: | 1.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 706.61 | Num_heavy_atoms: | 51 |
| TPSA: | 278.04 | NumAromaticRings: | 3 |
