Glycoside
GD112805
Name:
NoneFormula:
C30H25O7NSmiles:
Cc1cccc(C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)c2cccc(C)c2)C(=O)Nc2cccc3ccccc23)c1Aglycone:
Cc1cccc(C=O)c1.Cc1cccc(C=O)c1.Nc1cccc2ccccc12Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.13 |
| AlogP: | 4.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 511.53 | Num_heavy_atoms: | 38 |
| TPSA: | 119.0 | NumAromaticRings: | 4 |
Unique Aglycone
AD00788
Formula: C10H9N
Smiles:
Nc1cccc2ccccc12| HBA: | 1 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 143.19 | Num_heavy_atoms: | 11 |
| TPSA: | 26.02 | NumAromaticRings: | 2 |
AD44026
Formula: C8H8O
Smiles:
Cc1cccc(C=O)c1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 120.15 | Num_heavy_atoms: | 9 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
