Glycoside
GD020630
Name:
VISARTISIDE EFormula:
C27H32O11Smiles:
O=C(C=Cc1ccccc1)OC[C@]1(O)CO[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccccc3)O[C@@H](CO)[C@H]2O)[C@H]1OAglycone:
COC(=O)C=Cc1ccccc1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(OC2OCC(O)(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 10 |
| MolWt: | 532.54 | Num_heavy_atoms: | 38 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
