Glycoside
GD017913
Name:
NoneFormula:
C29H27O7N3Smiles:
CO[C@@H]1[C@H](CO)O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6n(C)c5c32)C(=O)N(C)C4=O)[C@H](O)[C@H]1OAglycone:
CN1C(=O)c2c(c3c4ccccc4n(C)c3c3[nH]c4ccccc4c23)C1=OSugarmoiety:
CO.COC1C(CO)OOC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.31 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 529.55 | Num_heavy_atoms: | 39 |
| TPSA: | 126.39 | NumAromaticRings: | 5 |
Unique Aglycone
AD12727
Formula: C22H15O2N3
Smiles:
CN1C(=O)c2c(c3c4ccccc4n(C)c3c3[nH]c4ccccc4c23)C1=O| HBA: | 5 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.09 |
| AlogP: | 4.19 | Num_rotatable_bonds: | 0 |
| MolWt: | 353.38 | Num_heavy_atoms: | 27 |
| TPSA: | 58.1 | NumAromaticRings: | 5 |
