Glycoside
GD007333
Name:
NoneFormula:
C31H33O13NSmiles:
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1C=Cc1cc(C(=O)O)c[n+]([C@H](Cc2ccccc2)C(=O)[O-])c1Aglycone:
C=CC1C(O)OC=C(C(=O)O)C1C=Cc1cc(C(=O)O)c[n+](C(Cc2ccccc2)C(=O)[O-])c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.35 |
| AlogP: | -1.22 | Num_rotatable_bonds: | 12 |
| MolWt: | 627.6 | Num_heavy_atoms: | 45 |
| TPSA: | 227.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD05983
Formula: C25H23O8N
Smiles:
C=CC1C(O)OC=C(C(=O)O)C1C=Cc1cc(C(=O)O)c[n+](C(Cc2ccccc2)C(=O)[O-])c1| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.2 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 9 |
| MolWt: | 465.46 | Num_heavy_atoms: | 34 |
| TPSA: | 148.07 | NumAromaticRings: | 2 |
