Glycoside
GD157810
Name:
Trilobatin AFormula:
C26H26O14Smiles:
O=C(OC1C(CC(O)C(=O)O)OCC(O)C1O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OAglycone:
CC(O)C(=O)O.O=C(O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 562.48 | Num_heavy_atoms: | 40 |
| TPSA: | 251.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD00056
Formula: C3H6O3
Smiles:
CC(O)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
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 |
