Glycoside
GD145263
Name:
4,5-bis(benzoyloxy)-2-[(benzoyloxy)methyl]-6-({7-[(benzoyloxy)methyl]-5-hydroxy-1H,4aH,5H,7aH-cyclopenta[c]pyran-1-yl}oxy)oxan-3-yl benzoateFormula:
C50H42O14Smiles:
O=C(OCC1=CC(O)C2C=COC(OC3OC(COC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C12)c1ccccc1Aglycone:
COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(OCC1=CC(O)C2C=COC(O)C12)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 6.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 866.87 | Num_heavy_atoms: | 64 |
| TPSA: | 179.42 | NumAromaticRings: | 5 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
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 |
AD40835
Formula: C16H16O5
Smiles:
O=C(OCC1=CC(O)C2C=COC(O)C12)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.31 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 3 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
