Glycoside
GD112300
Name:
NoneFormula:
C36H33O6N3Smiles:
Cc1ccc(C(=O)Nc2ccn([C@@H]3O[C@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)[C@H](O)[C@H]3O)c(=O)n2)cc1Aglycone:
COC(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(C(=O)Nc2cc[nH]c(=O)n2)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.19 |
| AlogP: | 4.43 | Num_rotatable_bonds: | 9 |
| MolWt: | 603.68 | Num_heavy_atoms: | 45 |
| TPSA: | 122.91 | NumAromaticRings: | 5 |
Unique Aglycone
AD01054
Formula: C20H18O
Smiles:
COC(c1ccccc1)(c1ccccc1)c1ccccc1| HBA: | 1 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 4.62 | Num_rotatable_bonds: | 4 |
| MolWt: | 274.36 | Num_heavy_atoms: | 21 |
| TPSA: | 9.23 | NumAromaticRings: | 3 |
AD32220
Formula: C12H11O2N3
Smiles:
Cc1ccc(C(=O)Nc2cc[nH]c(=O)n2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 2 |
| MolWt: | 229.24 | Num_heavy_atoms: | 17 |
| TPSA: | 74.85 | NumAromaticRings: | 2 |
