Glycoside
GD111802
Name:
NoneFormula:
C28H28O7N2Smiles:
Cc1cccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2cccc(C)c2)C(=O)Nc2ccc(N(C)C)cc2)c1Aglycone:
CN(C)c1ccc(N)cc1.Cc1cccc(C=O)c1.Cc1cccc(C=O)c1Sugarmoiety:
O=C(O)C(OO)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 3.84 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.54 | Num_heavy_atoms: | 37 |
| TPSA: | 122.24 | NumAromaticRings: | 3 |
Unique Aglycone
AD43961
Formula: C8H12N2
Smiles:
CN(C)c1ccc(N)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.2 | Num_heavy_atoms: | 10 |
| TPSA: | 29.26 | NumAromaticRings: | 1 |
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 |
