Glycoside
GD153319
Name:
3-(benzoyloxy)-6-[(benzoyloxy)methyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[4,5,6-tris(benzoyloxy)-2-[(benzoyloxy)methyl]oxan-3-yl]oxy}oxan-4-yl benzoateFormula:
C67H60O23Smiles:
O=C(OCC1OC(OC2C(COC(=O)c3ccccc3)OC(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C(OC(=O)c2ccccc2)C1OC1OC(CO)C(O)C(O)C1O)c1ccccc1Aglycone:
COC(=O)c1ccccc1.COC(=O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1.O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(OC2C(O)OC(OC3C(O)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 10 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 5.48 | Num_rotatable_bonds: | 21 |
| MolWt: | 1233.19 | Num_heavy_atoms: | 90 |
| TPSA: | 311.17 | NumAromaticRings: | 7 |
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 |
