Glycoside
GD145210
Name:
Verbesinoside BFormula:
C51H74O17Smiles:
COc1cc(C(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(C)(C)C6CCC45C)C3CC2(C)C)cc(OC)c1OCAglycone:
COc1cc(C(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(O)C(C)(C)C6CCC45C)C3CC2(C)C)cc(OC)c1OCSugarmoiety:
OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 9 |
| HBD: | 7 | FractionCSP3: | 0.8 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 11 |
| MolWt: | 959.14 | Num_heavy_atoms: | 68 |
| TPSA: | 249.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD14150
Formula: C40H56O8
Smiles:
COc1cc(C(=O)OC2CC3(C(=O)O)CC4CC45C(=CCC4C6(C)CCC(O)C(C)(C)C6CCC45C)C3CC2(C)C)cc(OC)c1OC| HBA: | 8 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 7.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 664.88 | Num_heavy_atoms: | 48 |
| TPSA: | 111.52 | NumAromaticRings: | 1 |
