Glycoside
GD138738
Name:
methyl 1-({6-[(benzoyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5,7-dihydroxy-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C24H30O12Smiles:
COC(=O)C1=COC(OC2OC(COC(=O)c3ccccc3)C(O)C(O)C2O)C2C1C(O)CC2(C)OAglycone:
COC(=O)C1=COC(O)C2C1C(O)CC2(C)O.COC(=O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD00480
Formula: C8H8O2
Smiles:
COC(=O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD13573
Formula: C11H16O6
Smiles:
COC(=O)C1=COC(O)C2C1C(O)CC2(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 244.24 | Num_heavy_atoms: | 17 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
