Glycoside
GD152289
Name:
Trilobatin A-1''-Methyl EsterFormula:
C27H28O14Smiles:
COC(=O)C(O)CC1OCC(O)C(O)C1OC(=O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OAglycone:
COC(=O)C(C)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: | 8 | FractionCSP3: | 0.37 |
| AlogP: | -0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 576.51 | Num_heavy_atoms: | 41 |
| TPSA: | 240.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD38349
Formula: C4H8O3
Smiles:
COC(=O)C(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | 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 |
